ethyl 4-[(E)-1-azanyl-3-(2-methyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-hex-3-en-2-yl]benzoate

Systemtic Name: ethyl 4-[(E)-1-azanyl-3-(2-methyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-hex-3-en-2-yl]benzoate Openeye Name: ethyl 4-[(E)-1-carbamoyl-2-[2-methyl-6-(1-piperidyl)phenyl]pent-2-enyl]benzoate CAS Name: 4-[(E)-1-amino-3-[2-methyl-6-(1-piperidinyl)phenyl]-1-oxohex-3-en-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-3-(2-methyl-6-piperidin-1-ylphenyl)-1-oxohex-3-en-2-yl]benzoate Traditional Name: 4-[(E)-1-carbamoyl-2-(2-methyl-6-piperidino-phenyl)pent-2-enyl]benzoic acid ethyl ester Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O3/c1-4-10-22(24-19(3)11-9-12-23(24)29-17-7-6-8-18-29)25(26(28)30)20-13-15-21(16-14-20)27(31)32-5-2/h9-16,25H,4-8,17-18H2,1-3H3,(H2,28,30)/b22-10-