3-[[1-[(2-chloranyl-6-ethoxy-phenyl)methyl]-5-cyclopropyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[1-[(2-chloranyl-6-ethoxy-phenyl)methyl]-5-cyclopropyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[1-[(2-chloro-6-ethoxy-phenyl)methyl]-5-cyclopropyl-2-hydroxy-4-oxo-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[[1-[(2-chloro-6-ethoxyphenyl)methyl]-5-cyclopropyl-2-hydroxy-4-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[1-[(2-chloro-6-ethoxyphenyl)methyl]-5-cyclopropyl-2-hydroxy-4-oxopyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[1-(2-chloro-6-ethoxy-benzyl)-5-cyclopropyl-2-hydroxy-4-keto-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C28H30ClN3O6 MolecularWeight: 540.0073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC=C1)Cl)CN2C=C(C(=O)C(=C2O)NC(=O)NC(CC(=O)O)C3=CC=C(C=C3)C)C4CC4

Isomeric SMILES

CCOC1=C(C(=CC=C1)Cl)CN2C=C(C(=O)C(=C2O)NC(=O)NC(CC(=O)O)C3=CC=C(C=C3)C)C4CC4

InChI

InChI=1S/C28H30ClN3O6/c1-3-38-23-6-4-5-21(29)20(23)15-32-14-19(17-11-12-17)26(35)25(27(32)36)31-28(37)30-22(13-24(33)34)18-9-7-16(2)8-10-18/h4-10,14,17,22,36H,3,11-13,15H2,1-2H3,(H,33,34)(H2,30,31,37)