3-[2-[[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]methyl]nonanoylamino]propanoic acid

Systemtic Name: 3-[2-[[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]methyl]nonanoylamino]propanoic acid Openeye Name: 3-[2-[[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]methyl]nonanoylamino]propanoic acid CAS Name: 3-[[2-[[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxononyl]amino]propanoic acid IUPAC Name: 3-[2-[[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]nonanoylamino]propanoic acid Traditional Name: 3-[2-[[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]methyl]nonanoylamino]propionic acid Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CN1CCC(C(C1)C)(C)C2=CC(=CC=C2)O)C(=O)NCCC(=O)O

Isomeric SMILES

CCCCCCCC(CN1CCC(C(C1)C)(C)C2=CC(=CC=C2)O)C(=O)NCCC(=O)O

InChI

InChI=1S/C26H42N2O4/c1-4-5-6-7-8-10-21(25(32)27-15-13-24(30)31)19-28-16-14-26(3,20(2)18-28)22-11-9-12-23(29)17-22/h9,11-12,17,20-21,29H,4-8,10,13-16,18-19H2,1-3H3,(H,27,32)(H,30,31)