3-[4-[(phenethylamino)-(1-phenylpiperidin-2-yl)methyl]cyclohexyl]propanoic acid

Systemtic Name: 3-[4-[(phenethylamino)-(1-phenylpiperidin-2-yl)methyl]cyclohexyl]propanoic acid Openeye Name: 3-[4-[(phenethylamino)-(1-phenyl-2-piperidyl)methyl]cyclohexyl]propanoic acid CAS Name: 3-[4-[(phenethylamino)-(1-phenyl-2-piperidinyl)methyl]cyclohexyl]propanoic acid IUPAC Name: 3-[4-[(phenethylamino)-(1-phenylpiperidin-2-yl)methyl]cyclohexyl]propanoic acid Traditional Name: 3-[4-[(phenethylamino)-(1-phenyl-2-piperidyl)methyl]cyclohexyl]propionic acid Formula: C29H40N2O2 MolecularWeight: 448.6401

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(C2CCC(CC2)CCC(=O)O)NCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(C2CCC(CC2)CCC(=O)O)NCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H40N2O2/c32-28(33)19-16-24-14-17-25(18-15-24)29(30-21-20-23-9-3-1-4-10-23)27-13-7-8-22-31(27)26-11-5-2-6-12-26/h1-6,9-12,24-25,27,29-30H,7-8,13-22H2,(H,32,33)