1-[3-oxidanylidene-7-[(phenylmethyl)carbamoyl]-1,2-dihydroinden-2-yl]imidazole-2,4-dicarboxylic acid

Systemtic Name: 1-[3-oxidanylidene-7-[(phenylmethyl)carbamoyl]-1,2-dihydroinden-2-yl]imidazole-2,4-dicarboxylic acid Openeye Name: 1-[4-(benzylcarbamoyl)-1-oxo-indan-2-yl]imidazole-2,4-dicarboxylic acid CAS Name: 1-[3-oxo-7-[oxo-[(phenylmethyl)amino]methyl]-1,2-dihydroinden-2-yl]imidazole-2,4-dicarboxylic acid IUPAC Name: 1-[7-(benzylcarbamoyl)-3-oxo-1,2-dihydroinden-2-yl]imidazole-2,4-dicarboxylic acid Traditional Name: 1-[4-(benzylcarbamoyl)-1-keto-indan-2-yl]imidazole-2,4-dicarboxylic acid Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C1C(=CC=C2)C(=O)NCC3=CC=CC=C3)N4C=C(N=C4C(=O)O)C(=O)O

Isomeric SMILES

C1C(C(=O)C2=C1C(=CC=C2)C(=O)NCC3=CC=CC=C3)N4C=C(N=C4C(=O)O)C(=O)O

InChI

InChI=1S/C22H17N3O6/c26-18-13-7-4-8-14(20(27)23-10-12-5-2-1-3-6-12)15(13)9-17(18)25-11-16(21(28)29)24-19(25)22(30)31/h1-8,11,17H,9-10H2,(H,23,27)(H,28,29)(H,30,31)