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

Systemtic Name: 5-[[1-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-(cyclohexylmethyl)-3-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]propyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]butan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[1-(cyclohexylmethyl)-3-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]propyl]amino]-5-keto-valeric acid Formula: C28H44N2O4 MolecularWeight: 472.65996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N2O4/c1-21-20-30(17-15-28(21,2)23-10-6-11-25(31)19-23)16-14-24(18-22-8-4-3-5-9-22)29-26(32)12-7-13-27(33)34/h6,10-11,19,21-22,24,31H,3-5,7-9,12-18,20H2,1-2H3,(H,29,32)(H,33,34)