[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H28N2O3/c1-19-15-24(20(2)29(19)17-21-9-4-3-5-10-21)26(30)18-32-27(31)14-8-11-22-16-28-25-13-7-6-12-23(22)25/h3-7,9-10,12-13,15-16,28H,8,11,14,17-18H2,1-2H3