4-[naphthalen-2-ylmethyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid

Systemtic Name: 4-[naphthalen-2-ylmethyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid Openeye Name: 4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid CAS Name: 4-[[1,3-dioxo-3-(2-pyrimidinyl)propyl]-(2-naphthalenylmethyl)amino]benzoic acid IUPAC Name: 4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzoic acid Traditional Name: 4-[[3-keto-3-(2-pyrimidyl)propanoyl]-(2-naphthylmethyl)amino]benzoic acid Formula: C25H19N3O4 MolecularWeight: 425.43606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN(C3=CC=C(C=C3)C(=O)O)C(=O)CC(=O)C4=NC=CC=N4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN(C3=CC=C(C=C3)C(=O)O)C(=O)CC(=O)C4=NC=CC=N4

InChI

InChI=1S/C25H19N3O4/c29-22(24-26-12-3-13-27-24)15-23(30)28(21-10-8-19(9-11-21)25(31)32)16-17-6-7-18-4-1-2-5-20(18)14-17/h1-14H,15-16H2,(H,31,32)