1H-indol-3-ylmethyl 3-methoxy-2-methyl-5-[(1-methyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]-4-propyl-benzoate

Systemtic Name: 1H-indol-3-ylmethyl 3-methoxy-2-methyl-5-[(1-methyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]-4-propyl-benzoate Openeye Name: 1H-indol-3-ylmethyl 3-methoxy-2-methyl-5-[(1-methyl-2-oxo-pyrrolidin-3-yl)methyl]-4-propyl-benzoate CAS Name: 3-methoxy-2-methyl-5-[(1-methyl-2-oxo-3-pyrrolidinyl)methyl]-4-propylbenzoic acid 1H-indol-3-ylmethyl ester IUPAC Name: 1H-indol-3-ylmethyl 3-methoxy-2-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]-4-propylbenzoate Traditional Name: 5-[(2-keto-1-methyl-pyrrolidin-3-yl)methyl]-3-methoxy-2-methyl-4-propyl-benzoic acid 1H-indol-3-ylmethyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1OC)C)C(=O)OCC2=CNC3=CC=CC=C32)CC4CCN(C4=O)C

Isomeric SMILES

CCCC1=C(C=C(C(=C1OC)C)C(=O)OCC2=CNC3=CC=CC=C32)CC4CCN(C4=O)C

InChI

InChI=1S/C27H32N2O4/c1-5-8-22-19(13-18-11-12-29(3)26(18)30)14-23(17(2)25(22)32-4)27(31)33-16-20-15-28-24-10-7-6-9-21(20)24/h6-7,9-10,14-15,18,28H,5,8,11-13,16H2,1-4H3