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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(C=C2C(=O)C1)(C3=CC=C(C=C3)Br)C4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1(CC2=NC(C=C2C(=O)C1)(C3=CC=C(C=C3)Br)C4=CC=CC(=C4)C(=O)O)C

InChI

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