4-[(E)-1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)oct-3-en-2-yl]benzoic acid

Systemtic Name: 4-[(E)-1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)oct-3-en-2-yl]benzoic acid Openeye Name: 4-[(E)-1-carbamoyl-2-[2-(1-piperidyl)phenyl]hept-2-enyl]benzoic acid CAS Name: 4-[(E)-1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]oct-3-en-2-yl]benzoic acid IUPAC Name: 4-[(E)-1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)oct-3-en-2-yl]benzoic acid Traditional Name: 4-[(E)-1-carbamoyl-2-(2-piperidinophenyl)hept-2-enyl]benzoic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-2-3-5-11-22(21-10-6-7-12-23(21)28-17-8-4-9-18-28)24(25(27)29)19-13-15-20(16-14-19)26(30)31/h6-7,10-16,24H,2-5,8-9,17-18H2,1H3,(H2,27,29)(H,30,31)/b22-11-