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

Systemtic Name: 3-[2-[(3,4-dimethylphenyl)-methyl-amino]-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid Openeye Name: 1-methyl-3-[2-oxo-2-(N,3,4-trimethylanilino)ethyl]indole-2-carboxylic acid CAS Name: 1-methyl-3-[2-oxo-2-(N,3,4-trimethylanilino)ethyl]-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-[2-oxo-2-(N,3,4-trimethylanilino)ethyl]indole-2-carboxylic acid Traditional Name: 3-[2-keto-2-(N,3,4-trimethylanilino)ethyl]-1-methyl-indole-2-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C)C(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C)C(=O)CC2=C(N(C3=CC=CC=C32)C)C(=O)O)C

InChI

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