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

Systemtic Name: 2-chloranyl-5-[naphthalen-2-ylmethyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid Openeye Name: 2-chloro-5-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid CAS Name: 2-chloro-5-[[1,3-dioxo-3-(2-pyrimidinyl)propyl]-(2-naphthalenylmethyl)amino]benzoic acid IUPAC Name: 2-chloro-5-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzoic acid Traditional Name: 2-chloro-5-[[3-keto-3-(2-pyrimidyl)propanoyl]-(2-naphthylmethyl)amino]benzoic acid Formula: C25H18ClN3O4 MolecularWeight: 459.88112

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H18ClN3O4/c26-21-9-8-19(13-20(21)25(32)33)29(23(31)14-22(30)24-27-10-3-11-28-24)15-16-6-7-17-4-1-2-5-18(17)12-16/h1-13H,14-15H2,(H,32,33)