methyl 4-[[methyl-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonyl-amino]methyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

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