[(3S)-1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(4-hydroxy-3,5-dimethyl-phenyl)methyl]-3-piperidyl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-3-piperidinyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-(4-hydroxy-3,5-dimethyl-benzyl)-3-piperidyl]-(3-methoxyphenyl)methanone Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CN2CCCC(C2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CN2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27NO3/c1-15-10-17(11-16(2)21(15)24)13-23-9-5-7-19(14-23)22(25)18-6-4-8-20(12-18)26-3/h4,6,8,10-12,19,24H,5,7,9,13-14H2,1-3H3/t19-/m0/s1