4-[[4-oxidanylidene-6-[(phenylmethyl)carbamoyl]-7H-cyclopenta[d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-6-[(phenylmethyl)carbamoyl]-7H-cyclopenta[d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(benzylcarbamoyl)-4-oxo-7H-cyclopenta[d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[oxo-[(phenylmethyl)amino]methyl]-7H-cyclopenta[d]pyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(benzylcarbamoyl)-4-oxo-7H-cyclopenta[d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(benzylcarbamoyl)-4-keto-7H-cyclopenta[d]pyrimidin-3-yl]methyl]benzoic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C1N=CN(C2=O)CC3=CC=C(C=C3)C(=O)O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C(=CC2=C1N=CN(C2=O)CC3=CC=C(C=C3)C(=O)O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O4/c27-21(24-12-15-4-2-1-3-5-15)18-10-19-20(11-18)25-14-26(22(19)28)13-16-6-8-17(9-7-16)23(29)30/h1-10,14H,11-13H2,(H,24,27)(H,29,30)