3-[[2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]butanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]butanoyl]amino]propanoic acid Openeye Name: 3-[[2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]butanoyl]amino]propanoic acid CAS Name: 3-[[2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[[2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanoyl]amino]propanoic acid Traditional Name: 3-[[2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]butanoyl]amino]propionic acid Formula: C26H40N2O4 MolecularWeight: 444.6068

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(C3CCCCC3)C(=O)NCCC(=O)O

Isomeric SMILES

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(C3CCCCC3)C(=O)NCCC(=O)O

InChI

InChI=1S/C26H40N2O4/c1-19-18-28(16-13-26(19,2)21-9-6-10-22(29)17-21)15-12-23(20-7-4-3-5-8-20)25(32)27-14-11-24(30)31/h6,9-10,17,19-20,23,29H,3-5,7-8,11-16,18H2,1-2H3,(H,27,32)(H,30,31)