2-methyl-5-[naphthalen-2-ylmethyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid

Systemtic Name: 2-methyl-5-[naphthalen-2-ylmethyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid Openeye Name: 2-methyl-5-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid CAS Name: 5-[[1,3-dioxo-3-(2-pyrimidinyl)propyl]-(2-naphthalenylmethyl)amino]-2-methylbenzoic acid IUPAC Name: 2-methyl-5-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzoic acid Traditional Name: 5-[[3-keto-3-(2-pyrimidyl)propanoyl]-(2-naphthylmethyl)amino]-2-methyl-benzoic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C4=NC=CC=N4)C(=O)O

InChI

InChI=1S/C26H21N3O4/c1-17-7-10-21(14-22(17)26(32)33)29(24(31)15-23(30)25-27-11-4-12-28-25)16-18-8-9-19-5-2-3-6-20(19)13-18/h2-14H,15-16H2,1H3,(H,32,33)