(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C25H28ClNO3 MolecularWeight: 425.94772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H28ClNO3/c1-17(2)21-16-22(26)18(3)15-23(21)30-25(29)20-11-13-27(14-12-20)24(28)10-9-19-7-5-4-6-8-19/h4-10,15-17,20H,11-14H2,1-3H3/b10-9+