(E)-3-[4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)hexan-2-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)hexan-2-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]pentyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]hexan-2-yl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)hexan-2-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[1-carbamoyl-2-(2-piperidinophenyl)pentyl]phenyl]acrylic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)C=CC(=O)O)C(=O)N

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)/C=C/C(=O)O)C(=O)N

InChI

InChI=1S/C26H32N2O3/c1-2-8-22(21-9-4-5-10-23(21)28-17-6-3-7-18-28)25(26(27)31)20-14-11-19(12-15-20)13-16-24(29)30/h4-5,9-16,22,25H,2-3,6-8,17-18H2,1H3,(H2,27,31)(H,29,30)/b16-13+