4-chloranyl-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxidanylidene-indol-3-yl]benzoic acid

Systemtic Name: 4-chloranyl-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxidanylidene-indol-3-yl]benzoic acid Openeye Name: 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxo-indolin-3-yl]benzoic acid CAS Name: 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxo-3-indolyl]benzoic acid IUPAC Name: 4-chloro-3-[1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]benzoic acid Traditional Name: 4-chloro-3-[1-(2,4-dimethoxybenzyl)-2-keto-3-methyl-indolin-3-yl]benzoic acid Formula: C25H22ClNO5 MolecularWeight: 451.89888

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=O)CC3=C(C=C(C=C3)OC)OC)C4=C(C=CC(=C4)C(=O)O)Cl

Isomeric SMILES

CC1(C2=CC=CC=C2N(C1=O)CC3=C(C=C(C=C3)OC)OC)C4=C(C=CC(=C4)C(=O)O)Cl

InChI

InChI=1S/C25H22ClNO5/c1-25(19-12-15(23(28)29)9-11-20(19)26)18-6-4-5-7-21(18)27(24(25)30)14-16-8-10-17(31-2)13-22(16)32-3/h4-13H,14H2,1-3H3,(H,28,29)