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

Systemtic Name: 5-chloranyl-3-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-[(2,5-dimethoxybenzyl)amino]-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5/c1-27-13-4-6-17(28-2)11(7-13)10-22-18(24)9-15-14-8-12(21)3-5-16(14)23-19(15)20(25)26/h3-8,23H,9-10H2,1-2H3,(H,22,24)(H,25,26)