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

Systemtic Name: 1-ethyl-3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]indole-2-carboxylic acid Openeye Name: 1-ethyl-3-[2-(4-ethylanilino)-2-oxo-ethyl]indole-2-carboxylic acid CAS Name: 1-ethyl-3-[2-(4-ethylanilino)-2-oxoethyl]-2-indolecarboxylic acid IUPAC Name: 1-ethyl-3-[2-(4-ethylanilino)-2-oxoethyl]indole-2-carboxylic acid Traditional Name: 1-ethyl-3-[2-(4-ethylanilino)-2-keto-ethyl]indole-2-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC2=C(N(C3=CC=CC=C32)CC)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CC2=C(N(C3=CC=CC=C32)CC)C(=O)O

InChI

InChI=1S/C21H22N2O3/c1-3-14-9-11-15(12-10-14)22-19(24)13-17-16-7-5-6-8-18(16)23(4-2)20(17)21(25)26/h5-12H,3-4,13H2,1-2H3,(H,22,24)(H,25,26)