butyl 4-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]benzoic acid butyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-2-3-19-32-26(31)22-10-12-23(13-11-22)27-25(30)21-15-17-28(18-16-21)24(29)14-9-20-7-5-4-6-8-20/h4-14,21H,2-3,15-19H2,1H3,(H,27,30)/b14-9+