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

Systemtic Name: 3-[[1-[(2-chloranyl-6-methoxy-phenyl)methyl]-5-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(3,4-dimethylphenyl)propanoic acid Openeye Name: 3-[[1-[(2-chloro-6-methoxy-phenyl)methyl]-2-hydroxy-5-methyl-4-oxo-3-pyridyl]carbamoylamino]-3-(3,4-dimethylphenyl)propanoic acid CAS Name: 3-[[[[1-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxy-5-methyl-4-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(3,4-dimethylphenyl)propanoic acid IUPAC Name: 3-[[1-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxy-5-methyl-4-oxopyridin-3-yl]carbamoylamino]-3-(3,4-dimethylphenyl)propanoic acid Traditional Name: 3-[[1-(2-chloro-6-methoxy-benzyl)-2-hydroxy-4-keto-5-methyl-3-pyridyl]carbamoylamino]-3-(3,4-dimethylphenyl)propionic acid Formula: C26H28ClN3O6 MolecularWeight: 513.97002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=C(C2=O)C)CC3=C(C=CC=C3Cl)OC)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=C(C2=O)C)CC3=C(C=CC=C3Cl)OC)O)C

InChI

InChI=1S/C26H28ClN3O6/c1-14-8-9-17(10-15(14)2)20(11-22(31)32)28-26(35)29-23-24(33)16(3)12-30(25(23)34)13-18-19(27)6-5-7-21(18)36-4/h5-10,12,20,34H,11,13H2,1-4H3,(H,31,32)(H2,28,29,35)