3-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(4-ethoxyanilino)-2-oxo-ethyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 3-[2-(4-ethoxyanilino)-2-oxoethyl]-1-ethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(4-ethoxyanilino)-2-oxoethyl]-1-ethylindole-2-carboxylic acid Traditional Name: 1-ethyl-3-[2-keto-2-(p-phenetidino)ethyl]indole-2-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NC3=CC=C(C=C3)OCC

InChI

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