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

Systemtic Name: 3-[[1-[(2-chloranyl-6-propoxy-phenyl)methyl]-5-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(3-ethoxyphenyl)propanoic acid Openeye Name: 3-[[1-[(2-chloro-6-propoxy-phenyl)methyl]-2-hydroxy-5-methyl-4-oxo-3-pyridyl]carbamoylamino]-3-(3-ethoxyphenyl)propanoic acid CAS Name: 3-[[[[1-[(2-chloro-6-propoxyphenyl)methyl]-2-hydroxy-5-methyl-4-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(3-ethoxyphenyl)propanoic acid IUPAC Name: 3-[[1-[(2-chloro-6-propoxyphenyl)methyl]-2-hydroxy-5-methyl-4-oxopyridin-3-yl]carbamoylamino]-3-(3-ethoxyphenyl)propanoic acid Traditional Name: 3-[[1-(2-chloro-6-propoxy-benzyl)-2-hydroxy-4-keto-5-methyl-3-pyridyl]carbamoylamino]-3-m-phenetyl-propionic acid Formula: C28H32ClN3O7 MolecularWeight: 558.02258

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=CC=C1)Cl)CN2C=C(C(=O)C(=C2O)NC(=O)NC(CC(=O)O)C3=CC(=CC=C3)OCC)C

Isomeric SMILES

CCCOC1=C(C(=CC=C1)Cl)CN2C=C(C(=O)C(=C2O)NC(=O)NC(CC(=O)O)C3=CC(=CC=C3)OCC)C

InChI

InChI=1S/C28H32ClN3O7/c1-4-12-39-23-11-7-10-21(29)20(23)16-32-15-17(3)26(35)25(27(32)36)31-28(37)30-22(14-24(33)34)18-8-6-9-19(13-18)38-5-2/h6-11,13,15,22,36H,4-5,12,14,16H2,1-3H3,(H,33,34)(H2,30,31,37)