3-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,5-dimethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,5-dimethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl]-1,5-dimethyl-indole-2-carboxylic acid CAS Name: 3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-1,5-dimethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-1,5-dimethylindole-2-carboxylic acid Traditional Name: 3-[2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl]-1,5-dimethyl-indole-2-carboxylic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c1-11-5-6-17-13(7-11)14(20(21(26)27)24(17)3)9-19(25)23-16-8-12(2)15(22)10-18(16)28-4/h5-8,10H,9H2,1-4H3,(H,23,25)(H,26,27)