5-[[1-cyclohexyl-3-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[1-cyclohexyl-3-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-(cyclohexylmethyl)-2-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]ethyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-cyclohexyl-3-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-cyclohexyl-3-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[1-(cyclohexylmethyl)-2-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]ethyl]amino]-5-keto-valeric acid Formula: C27H42N2O4 MolecularWeight: 458.63338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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