3-[2-(4-bromophenyl)-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl]benzoic acid

Systemtic Name: 3-[2-(4-bromophenyl)-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl]benzoic acid Openeye Name: 3-[2-(4-bromophenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl]benzoic acid CAS Name: 3-[2-(4-bromophenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl]benzoic acid IUPAC Name: 3-[2-(4-bromophenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl]benzoic acid Traditional Name: 3-[2-(4-bromophenyl)-4-keto-6,6-dimethyl-5,7-dihydroindol-1-yl]benzoic acid Formula: C23H20BrNO3 MolecularWeight: 438.3138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(N2C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)Br)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=C(N2C3=CC=CC(=C3)C(=O)O)C4=CC=C(C=C4)Br)C(=O)C1)C

InChI

InChI=1S/C23H20BrNO3/c1-23(2)12-20-18(21(26)13-23)11-19(14-6-8-16(24)9-7-14)25(20)17-5-3-4-15(10-17)22(27)28/h3-11H,12-13H2,1-2H3,(H,27,28)