2-[3-[1-[[(3S,4S)-1-(cyclohexylmethyl)-4-phenyl-pyrrolidin-3-yl]methyl]-4-oxidanyl-piperidin-4-yl]propyl]benzoic acid

Systemtic Name: 2-[3-[1-[[(3S,4S)-1-(cyclohexylmethyl)-4-phenyl-pyrrolidin-3-yl]methyl]-4-oxidanyl-piperidin-4-yl]propyl]benzoic acid Openeye Name: 2-[3-[1-[[(3S,4S)-1-(cyclohexylmethyl)-4-phenyl-pyrrolidin-3-yl]methyl]-4-hydroxy-4-piperidyl]propyl]benzoic acid CAS Name: 2-[3-[1-[[(3S,4S)-1-(cyclohexylmethyl)-4-phenyl-3-pyrrolidinyl]methyl]-4-hydroxy-4-piperidinyl]propyl]benzoic acid IUPAC Name: 2-[3-[1-[[(3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl]methyl]-4-hydroxypiperidin-4-yl]propyl]benzoic acid Traditional Name: 2-[3-[1-[[(3S,4S)-1-(cyclohexylmethyl)-4-phenyl-pyrrolidin-3-yl]methyl]-4-hydroxy-4-piperidyl]propyl]benzoic acid Formula: C33H46N2O3 MolecularWeight: 518.72994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)(CCCC5=CC=CC=C5C(=O)O)O

Isomeric SMILES

C1CCC(CC1)CN2C[C@@H]([C@H](C2)C3=CC=CC=C3)CN4CCC(CC4)(CCCC5=CC=CC=C5C(=O)O)O

InChI

InChI=1S/C33H46N2O3/c36-32(37)30-16-8-7-14-27(30)15-9-17-33(38)18-20-34(21-19-33)23-29-24-35(22-26-10-3-1-4-11-26)25-31(29)28-12-5-2-6-13-28/h2,5-8,12-14,16,26,29,31,38H,1,3-4,9-11,15,17-25H2,(H,36,37)/t29-,31+/m0/s1