3-[4-[[5-[4-[(2-methylphenyl)carbamoylamino]phenyl]-6-oxidanylidene-pyrimidin-1-yl]methyl]phenyl]butanoic acid

Systemtic Name: 3-[4-[[5-[4-[(2-methylphenyl)carbamoylamino]phenyl]-6-oxidanylidene-pyrimidin-1-yl]methyl]phenyl]butanoic acid Openeye Name: 3-[4-[[5-[4-(o-tolylcarbamoylamino)phenyl]-6-oxo-pyrimidin-1-yl]methyl]phenyl]butanoic acid CAS Name: 3-[4-[[5-[4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-6-oxo-1-pyrimidinyl]methyl]phenyl]butanoic acid IUPAC Name: 3-[4-[[5-[4-[(2-methylphenyl)carbamoylamino]phenyl]-6-oxopyrimidin-1-yl]methyl]phenyl]butanoic acid Traditional Name: 3-[4-[[6-keto-5-[4-(o-tolylcarbamoylamino)phenyl]pyrimidin-1-yl]methyl]phenyl]butyric acid Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C3=CN=CN(C3=O)CC4=CC=C(C=C4)C(C)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C3=CN=CN(C3=O)CC4=CC=C(C=C4)C(C)CC(=O)O

InChI

InChI=1S/C29H28N4O4/c1-19-5-3-4-6-26(19)32-29(37)31-24-13-11-23(12-14-24)25-16-30-18-33(28(25)36)17-21-7-9-22(10-8-21)20(2)15-27(34)35/h3-14,16,18,20H,15,17H2,1-2H3,(H,34,35)(H2,31,32,37)