(Z)-3-[4-[3-(4-benzamidopiperidin-1-yl)-2-oxidanyl-propoxy]phenyl]but-2-enoic acid

Systemtic Name: (Z)-3-[4-[3-(4-benzamidopiperidin-1-yl)-2-oxidanyl-propoxy]phenyl]but-2-enoic acid Openeye Name: (Z)-3-[4-[3-(4-benzamido-1-piperidyl)-2-hydroxy-propoxy]phenyl]but-2-enoic acid CAS Name: (Z)-3-[4-[3-(4-benzamido-1-piperidinyl)-2-hydroxypropoxy]phenyl]-2-butenoic acid IUPAC Name: (Z)-3-[4-[3-(4-benzamidopiperidin-1-yl)-2-hydroxypropoxy]phenyl]but-2-enoic acid Traditional Name: (Z)-3-[4-[3-(4-benzamidopiperidino)-2-hydroxy-propoxy]phenyl]but-2-enoic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC=C(C=C1)OCC(CN2CCC(CC2)NC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C/C(=C/C(=O)O)/C1=CC=C(C=C1)OCC(CN2CCC(CC2)NC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C25H30N2O5/c1-18(15-24(29)30)19-7-9-23(10-8-19)32-17-22(28)16-27-13-11-21(12-14-27)26-25(31)20-5-3-2-4-6-20/h2-10,15,21-22,28H,11-14,16-17H2,1H3,(H,26,31)(H,29,30)/b18-15-