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

Systemtic Name: ethyl 4-[(E)-1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)hept-3-en-2-yl]benzoate Openeye Name: ethyl 4-[(E)-1-carbamoyl-2-[2-(1-piperidyl)phenyl]hex-2-enyl]benzoate CAS Name: 4-[(E)-1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]hept-3-en-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)hept-3-en-2-yl]benzoate Traditional Name: 4-[(E)-1-carbamoyl-2-(2-piperidinophenyl)hex-2-enyl]benzoic acid ethyl ester Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O3/c1-3-5-11-23(22-12-7-8-13-24(22)29-18-9-6-10-19-29)25(26(28)30)20-14-16-21(17-15-20)27(31)32-4-2/h7-8,11-17,25H,3-6,9-10,18-19H2,1-2H3,(H2,28,30)/b23-11-