4-[[1-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-(cyclohexylmethyl)-3-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]propyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]butan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[1-(cyclohexylmethyl)-3-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]propyl]amino]-4-keto-butyric acid Formula: C27H42N2O4 MolecularWeight: 458.63338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(CC3CCCCC3)NC(=O)CCC(=O)O

Isomeric SMILES

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(CC3CCCCC3)NC(=O)CCC(=O)O

InChI

InChI=1S/C27H42N2O4/c1-20-19-29(16-14-27(20,2)22-9-6-10-24(30)18-22)15-13-23(17-21-7-4-3-5-8-21)28-25(31)11-12-26(32)33/h6,9-10,18,20-21,23,30H,3-5,7-8,11-17,19H2,1-2H3,(H,28,31)(H,32,33)