5-cyano-2-[(1-methyl-7-propan-2-yloxy-indol-2-yl)carbonylamino]benzoic acid

Systemtic Name: 5-cyano-2-[(1-methyl-7-propan-2-yloxy-indol-2-yl)carbonylamino]benzoic acid Openeye Name: 5-cyano-2-[(7-isopropoxy-1-methyl-indole-2-carbonyl)amino]benzoic acid CAS Name: 5-cyano-2-[[(1-methyl-7-propan-2-yloxy-2-indolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 5-cyano-2-[(1-methyl-7-propan-2-yloxyindole-2-carbonyl)amino]benzoic acid Traditional Name: 5-cyano-2-[(7-isopropoxy-1-methyl-indole-2-carbonyl)amino]benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC2=C1N(C(=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O)C

Isomeric SMILES

CC(C)OC1=CC=CC2=C1N(C(=C2)C(=O)NC3=C(C=C(C=C3)C#N)C(=O)O)C

InChI

InChI=1S/C21H19N3O4/c1-12(2)28-18-6-4-5-14-10-17(24(3)19(14)18)20(25)23-16-8-7-13(11-22)9-15(16)21(26)27/h4-10,12H,1-3H3,(H,23,25)(H,26,27)