4-[5-ethoxycarbonyl-6-methyl-2-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridin-3-yl]oxybutanoic acid

Systemtic Name: 4-[5-ethoxycarbonyl-6-methyl-2-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridin-3-yl]oxybutanoic acid Openeye Name: 4-[[2-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-ethoxycarbonyl-6-methyl-3-pyridyl]oxy]butanoic acid CAS Name: 4-[[5-ethoxycarbonyl-6-methyl-2-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinyl]oxy]butanoic acid IUPAC Name: 4-[2-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-ethoxycarbonyl-6-methylpyridin-3-yl]oxybutanoic acid Traditional Name: 4-[[2-[4-(benzylsulfonylcarbamoyl)piperidino]-5-carbethoxy-6-methyl-3-pyridyl]oxy]butyric acid Formula: C26H33N3O8S MolecularWeight: 547.62052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1C)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)OCCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1C)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)OCCCC(=O)O

InChI

InChI=1S/C26H33N3O8S/c1-3-36-26(33)21-16-22(37-15-7-10-23(30)31)24(27-18(21)2)29-13-11-20(12-14-29)25(32)28-38(34,35)17-19-8-5-4-6-9-19/h4-6,8-9,16,20H,3,7,10-15,17H2,1-2H3,(H,28,32)(H,30,31)