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

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

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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=CC=C3)C)C

Isomeric SMILES

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

InChI

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