4-[[4-(hydroxymethyl)-4-phenyl-cyclohexyl]amino]-1-(4-methoxyphenyl)butan-1-one

Systemtic Name: 4-[[4-(hydroxymethyl)-4-phenyl-cyclohexyl]amino]-1-(4-methoxyphenyl)butan-1-one Openeye Name: 4-[[4-(hydroxymethyl)-4-phenyl-cyclohexyl]amino]-1-(4-methoxyphenyl)butan-1-one CAS Name: 4-[[4-(hydroxymethyl)-4-phenylcyclohexyl]amino]-1-(4-methoxyphenyl)-1-butanone IUPAC Name: 4-[[4-(hydroxymethyl)-4-phenylcyclohexyl]amino]-1-(4-methoxyphenyl)butan-1-one Traditional Name: 1-(4-methoxyphenyl)-4-[(4-methylol-4-phenyl-cyclohexyl)amino]butan-1-one Formula: C24H31NO3 MolecularWeight: 381.50784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CCCNC2CCC(CC2)(CO)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CCCNC2CCC(CC2)(CO)C3=CC=CC=C3

InChI

InChI=1S/C24H31NO3/c1-28-22-11-9-19(10-12-22)23(27)8-5-17-25-21-13-15-24(18-26,16-14-21)20-6-3-2-4-7-20/h2-4,6-7,9-12,21,25-26H,5,8,13-18H2,1H3