3-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,5-dimethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,5-dimethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]-1,5-dimethyl-indole-2-carboxylic acid CAS Name: 3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,5-dimethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,5-dimethylindole-2-carboxylic acid Traditional Name: 3-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]-1,5-dimethyl-indole-2-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=C(C=CC(=C3)C)OC)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=C(C=CC(=C3)C)OC)C(=O)O)C

InChI

InChI=1S/C21H22N2O4/c1-12-5-7-17-14(9-12)15(20(21(25)26)23(17)3)11-19(24)22-16-10-13(2)6-8-18(16)27-4/h5-10H,11H2,1-4H3,(H,22,24)(H,25,26)