4-[[3-azanyl-3-(2-chlorophenyl)-5-ethoxy-2-oxidanylidene-indol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-azanyl-3-(2-chlorophenyl)-5-ethoxy-2-oxidanylidene-indol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-amino-3-(2-chlorophenyl)-5-ethoxy-2-oxo-indolin-1-yl]methyl]benzoic acid CAS Name: 4-[[3-amino-3-(2-chlorophenyl)-5-ethoxy-2-oxo-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[3-amino-3-(2-chlorophenyl)-5-ethoxy-2-oxoindol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-amino-3-(2-chlorophenyl)-5-ethoxy-2-keto-indolin-1-yl]methyl]benzoic acid Formula: C24H21ClN2O4 MolecularWeight: 436.88754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=O)C2(C3=CC=CC=C3Cl)N)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=O)C2(C3=CC=CC=C3Cl)N)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H21ClN2O4/c1-2-31-17-11-12-21-19(13-17)24(26,18-5-3-4-6-20(18)25)23(30)27(21)14-15-7-9-16(10-8-15)22(28)29/h3-13H,2,14,26H2,1H3,(H,28,29)