4-[[6-[(3-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[(3-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(3-chlorophenyl)methylcarbamoyl]-4-oxo-pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(3-chlorophenyl)methylamino]-oxomethyl]-4-oxo-3-pyrido[3,4-d]pyrimidinyl]methyl]benzoic acid IUPAC Name: 4-[[6-[(3-chlorophenyl)methylcarbamoyl]-4-oxopyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-[(3-chlorobenzyl)carbamoyl]-4-keto-pyrido[3,4-d]pyrimidin-3-yl]methyl]benzoic acid Formula: C23H17ClN4O4 MolecularWeight: 448.85848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CNC(=O)C2=NC=C3C(=C2)C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CNC(=O)C2=NC=C3C(=C2)C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H17ClN4O4/c24-17-3-1-2-15(8-17)10-26-21(29)19-9-18-20(11-25-19)27-13-28(22(18)30)12-14-4-6-16(7-5-14)23(31)32/h1-9,11,13H,10,12H2,(H,26,29)(H,31,32)