[2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxo-ethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid [2-[1-(4-ethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)COC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H32N2O4/c1-3-21-9-12-23(13-10-21)20(2)28-25(30)19-33-27(32)24-15-17-29(18-16-24)26(31)14-11-22-7-5-4-6-8-22/h4-14,20,24H,3,15-19H2,1-2H3,(H,28,30)/b14-11+