(2S,4S)-2-[bis(phenylmethyl)amino]-1-cyclohexyl-6-methyl-4-oxidanyl-heptan-3-one

Systemtic Name: (2S,4S)-2-[bis(phenylmethyl)amino]-1-cyclohexyl-6-methyl-4-oxidanyl-heptan-3-one Openeye Name: (2S,4S)-1-cyclohexyl-2-(dibenzylamino)-4-hydroxy-6-methyl-heptan-3-one CAS Name: (2S,4S)-2-[bis(phenylmethyl)amino]-1-cyclohexyl-4-hydroxy-6-methyl-3-heptanone IUPAC Name: (2S,4S)-1-cyclohexyl-2-(dibenzylamino)-4-hydroxy-6-methylheptan-3-one Traditional Name: (2S,4S)-1-cyclohexyl-2-(dibenzylamino)-4-hydroxy-6-methyl-heptan-3-one Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(CC1CCCCC1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)[C@H](CC1CCCCC1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C28H39NO2/c1-22(2)18-27(30)28(31)26(19-23-12-6-3-7-13-23)29(20-24-14-8-4-9-15-24)21-25-16-10-5-11-17-25/h4-5,8-11,14-17,22-23,26-27,30H,3,6-7,12-13,18-21H2,1-2H3/t26-,27-/m0/s1