3-[(2-carboxy-1-methyl-indol-3-yl)-(2-chlorophenyl)methyl]-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[(2-carboxy-1-methyl-indol-3-yl)-(2-chlorophenyl)methyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 3-[(2-carboxy-1-methyl-indol-3-yl)-(2-chlorophenyl)methyl]-1-methyl-indole-2-carboxylic acid CAS Name: 3-[(2-carboxy-1-methyl-3-indolyl)-(2-chlorophenyl)methyl]-1-methyl-2-indolecarboxylic acid IUPAC Name: 3-[(2-carboxy-1-methylindol-3-yl)-(2-chlorophenyl)methyl]-1-methylindole-2-carboxylic acid Traditional Name: 3-[(2-carboxy-1-methyl-indol-3-yl)-(2-chlorophenyl)methyl]-1-methyl-indole-2-carboxylic acid Formula: C27H21ClN2O4 MolecularWeight: 472.91964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C3=CC=CC=C3Cl)C4=C(N(C5=CC=CC=C54)C)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C3=CC=CC=C3Cl)C4=C(N(C5=CC=CC=C54)C)C(=O)O

InChI

InChI=1S/C27H21ClN2O4/c1-29-19-13-7-4-10-16(19)22(24(29)26(31)32)21(15-9-3-6-12-18(15)28)23-17-11-5-8-14-20(17)30(2)25(23)27(33)34/h3-14,21H,1-2H3,(H,31,32)(H,33,34)