Molecule ID: 53320911

IUPAC Name: methyl (3S,3aR,7aS)-7a-ethenyl-3-(1H-indol-2-yl)-2,3a,4,5,6,7-hexahydrofuro[2,3-c]pyridine-3-carboxylate

Description: The molecule is an organooxygen compound and an organonitrogen compound. It has a role as a metabolite. It derives from a delta-amino acid.

SMILES: C=C[C@@]12CNCC[C@@H]1[C@](C(=O)OC)(c1cc3ccccc3[nH]1)CO2

SELFIES: [C][=C][C@@][C][N][C][C][C@@H1][Ring1][=Branch1][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][O][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C19H22N2O3/c1-3-18-11-20-9-8-15(18)19(12-24-18,17(22)23-2)16-10-13-6-4-5-7-14(13)21-16/h3-7,10,15,20-21H,1,8-9,11-12H2,2H3/t15-,18+,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.4 Ų
- LogP: 1.8