[2-[2-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]propanoyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-[2-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]propanoyl]phenyl] 4-methylbenzoate Openeye Name: [2-[2-(4-benzyl-4-hydroxy-1-piperidyl)propanoyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[2-[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]-1-oxopropyl]phenyl] ester IUPAC Name: [2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)propanoyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[2-(4-benzyl-4-hydroxy-piperidino)propanoyl]phenyl] ester Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)C(C)N3CCC(CC3)(CC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)C(C)N3CCC(CC3)(CC4=CC=CC=C4)O

InChI

InChI=1S/C29H31NO4/c1-21-12-14-24(15-13-21)28(32)34-26-11-7-6-10-25(26)27(31)22(2)30-18-16-29(33,17-19-30)20-23-8-4-3-5-9-23/h3-15,22,33H,16-20H2,1-2H3