methyl 4-methyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]pentanoate Openeye Name: methyl 4-methyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]pentanoate CAS Name: 4-methyl-2-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]pentanoate Traditional Name: 4-methyl-2-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]valeric acid methyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1CCN(CC1)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H30N2O4/c1-16(2)15-19(22(27)28-3)23-21(26)18-11-13-24(14-12-18)20(25)10-9-17-7-5-4-6-8-17/h4-10,16,18-19H,11-15H2,1-3H3,(H,23,26)/b10-9+