(2S)-N-[(E,3S,4S)-4-methyl-1-(2-methylphenyl)hex-1-en-3-yl]-1-phenacyl-piperidine-2-carboxamide

Systemtic Name: (2S)-N-[(E,3S,4S)-4-methyl-1-(2-methylphenyl)hex-1-en-3-yl]-1-phenacyl-piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S,2S)-2-methyl-1-[(E)-2-(o-tolyl)vinyl]butyl]-1-phenacyl-piperidine-2-carboxamide CAS Name: (2S)-N-[(E,3S,4S)-4-methyl-1-(2-methylphenyl)hex-1-en-3-yl]-1-phenacyl-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(E,3S,4S)-4-methyl-1-(2-methylphenyl)hex-1-en-3-yl]-1-phenacylpiperidine-2-carboxamide Traditional Name: (2S)-N-[(E,1S)-1-[(1S)-1-methylpropyl]-3-(o-tolyl)allyl]-1-phenacyl-pipecolinamide Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=CC1=CC=CC=C1C)NC(=O)C2CCCCN2CC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](/C=C/C1=CC=CC=C1C)NC(=O)[C@@H]2CCCCN2CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H36N2O2/c1-4-21(2)25(18-17-23-13-9-8-12-22(23)3)29-28(32)26-16-10-11-19-30(26)20-27(31)24-14-6-5-7-15-24/h5-9,12-15,17-18,21,25-26H,4,10-11,16,19-20H2,1-3H3,(H,29,32)/b18-17+/t21-,25+,26-/m0/s1