(Z)-3-(methylamino)-4-[(1R,2S)-2-oxidanylcyclohexyl]-1-phenyl-but-2-en-1-one

Systemtic Name: (Z)-3-(methylamino)-4-[(1R,2S)-2-oxidanylcyclohexyl]-1-phenyl-but-2-en-1-one Openeye Name: (Z)-4-[(1R,2S)-2-hydroxycyclohexyl]-3-(methylamino)-1-phenyl-but-2-en-1-one CAS Name: (Z)-4-[(1R,2S)-2-hydroxycyclohexyl]-3-(methylamino)-1-phenyl-2-buten-1-one IUPAC Name: (Z)-4-[(1R,2S)-2-hydroxycyclohexyl]-3-(methylamino)-1-phenylbut-2-en-1-one Traditional Name: (Z)-4-[(1R,2S)-2-hydroxycyclohexyl]-3-(methylamino)-1-phenyl-but-2-en-1-one Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=CC(=O)C1=CC=CC=C1)CC2CCCCC2O

Isomeric SMILES

CN/C(=C\C(=O)C1=CC=CC=C1)/C[C@H]2CCCC[C@@H]2O

InChI

InChI=1S/C17H23NO2/c1-18-15(11-14-9-5-6-10-16(14)19)12-17(20)13-7-3-2-4-8-13/h2-4,7-8,12,14,16,18-19H,5-6,9-11H2,1H3/b15-12-/t14-,16+/m1/s1