Molecule ID: 71306373

IUPAC Name: 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate

Description: The molecule is an aminobenzoate that is the conjugate base of 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid, obtained by deprotonation of the carboxy group. It is a conjugate base of a 2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid.

SMILES: COc1c(C)c(C(=O)c2ccc(N)c(C(=O)[O-])c2)n2ccccc12

SELFIES: [C][O][C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=Ring2][Ring1][=Branch1][Ring1][=Branch1]

InChI: InChI=1S/C18H16N2O4/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23/h3-9H,19H2,1-2H3,(H,22,23)/p-1

Molecular Properties:
- Polar Surface Area: 96.9 Ų
- LogP: 4.6