5-chloranyl-3-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-(3,4-dimethoxyanilino)-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)OC

InChI

InChI=1S/C19H17ClN2O5/c1-26-15-6-4-11(8-16(15)27-2)21-17(23)9-13-12-7-10(20)3-5-14(12)22-18(13)19(24)25/h3-8,22H,9H2,1-2H3,(H,21,23)(H,24,25)