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

Systemtic Name: 3-[2-[(3,4-dimethylphenyl)-ethyl-amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(N-ethyl-3,4-dimethyl-anilino)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-(N-ethyl-3,4-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(N-ethyl-3,4-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-(N-ethyl-3,4-dimethyl-anilino)-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC(=C(C=C1)C)C)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCN(C1=CC(=C(C=C1)C)C)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)O

InChI

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