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

Systemtic Name: ethyl 4-[(E)-1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)oct-3-en-2-yl]benzoate Openeye Name: ethyl 4-[(E)-1-carbamoyl-2-[2-(1-piperidyl)phenyl]hept-2-enyl]benzoate CAS Name: 4-[(E)-1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]oct-3-en-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)oct-3-en-2-yl]benzoate Traditional Name: 4-[(E)-1-carbamoyl-2-(2-piperidinophenyl)hept-2-enyl]benzoic acid ethyl ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O3/c1-3-5-7-13-24(23-12-8-9-14-25(23)30-19-10-6-11-20-30)26(27(29)31)21-15-17-22(18-16-21)28(32)33-4-2/h8-9,12-18,26H,3-7,10-11,19-20H2,1-2H3,(H2,29,31)/b24-13-