methyl 4-[[3,3-bis(3,5-dimethyl-4-oxidanyl-phenyl)-2-oxidanylidene-indol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3,3-bis(3,5-dimethyl-4-oxidanyl-phenyl)-2-oxidanylidene-indol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3,3-bis(4-hydroxy-3,5-dimethyl-phenyl)-2-oxo-indolin-1-yl]methyl]benzoate CAS Name: 4-[[3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2-oxo-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2-oxoindol-1-yl]methyl]benzoate Traditional Name: 4-[[3,3-bis(4-hydroxy-3,5-dimethyl-phenyl)-2-keto-indolin-1-yl]methyl]benzoic acid methyl ester Formula: C33H31NO5 MolecularWeight: 521.60294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C2(C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C(=O)OC)C5=CC(=C(C(=C5)C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C2(C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C(=O)OC)C5=CC(=C(C(=C5)C)O)C

InChI

InChI=1S/C33H31NO5/c1-19-14-25(15-20(2)29(19)35)33(26-16-21(3)30(36)22(4)17-26)27-8-6-7-9-28(27)34(32(33)38)18-23-10-12-24(13-11-23)31(37)39-5/h6-17,35-36H,18H2,1-5H3