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

Systemtic Name: propyl 4-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]benzoic acid propyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4/c1-2-18-31-25(30)21-9-11-22(12-10-21)26-24(29)20-14-16-27(17-15-20)23(28)13-8-19-6-4-3-5-7-19/h3-13,20H,2,14-18H2,1H3,(H,26,29)/b13-8+