4-(1-ethyl-2-methyl-indol-3-yl)carbonylbenzene-1,3-dicarboxylic acid

Systemtic Name: 4-(1-ethyl-2-methyl-indol-3-yl)carbonylbenzene-1,3-dicarboxylic acid Openeye Name: 4-(1-ethyl-2-methyl-indole-3-carbonyl)benzene-1,3-dicarboxylic acid CAS Name: 4-[(1-ethyl-2-methyl-3-indolyl)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-(1-ethyl-2-methylindole-3-carbonyl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(1-ethyl-2-methyl-indole-3-carbonyl)isophthalic acid Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CCN1C(=C(C2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C20H17NO5/c1-3-21-11(2)17(14-6-4-5-7-16(14)21)18(22)13-9-8-12(19(23)24)10-15(13)20(25)26/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)