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

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-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-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C26H26N2O3/c1-18-15-23(19(2)28(18)21-10-4-3-5-11-21)25(29)17-31-26(30)14-8-9-20-16-27-24-13-7-6-12-22(20)24/h3-7,10-13,15-16,27H,8-9,14,17H2,1-2H3