3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-1,5-dimethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-1,5-dimethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(4-ethylanilino)-2-oxo-ethyl]-1,5-dimethyl-indole-2-carboxylic acid CAS Name: 3-[2-(4-ethylanilino)-2-oxoethyl]-1,5-dimethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(4-ethylanilino)-2-oxoethyl]-1,5-dimethylindole-2-carboxylic acid Traditional Name: 3-[2-(4-ethylanilino)-2-keto-ethyl]-1,5-dimethyl-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=C2C=C(C=C3)C)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CC2=C(N(C3=C2C=C(C=C3)C)C)C(=O)O

InChI

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