4-[(3,4-dichlorophenyl)methyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]-2-methoxy-benzoic acid

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl-(3-oxidanylidene-3-pyrimidin-2-yl-propanoyl)amino]-2-methoxy-benzoic acid Openeye Name: 4-[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]-2-methoxy-benzoic acid CAS Name: 4-[(3,4-dichlorophenyl)methyl-[1,3-dioxo-3-(2-pyrimidinyl)propyl]amino]-2-methoxybenzoic acid IUPAC Name: 4-[(3,4-dichlorophenyl)methyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]-2-methoxybenzoic acid Traditional Name: 4-[(3,4-dichlorobenzyl)-[3-keto-3-(2-pyrimidyl)propanoyl]amino]-2-methoxy-benzoic acid Formula: C22H17Cl2N3O5 MolecularWeight: 474.29348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3)C(=O)O

InChI

InChI=1S/C22H17Cl2N3O5/c1-32-19-10-14(4-5-15(19)22(30)31)27(12-13-3-6-16(23)17(24)9-13)20(29)11-18(28)21-25-7-2-8-26-21/h2-10H,11-12H2,1H3,(H,30,31)