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

Systemtic Name: morpholine; [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; morpholine CAS Name: 4-methylbenzoic acid [2-[2-[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]-1-oxopropyl]phenyl] ester; morpholine IUPAC Name: [2-[2-(4-benzyl-4-hydroxypiperidin-1-yl)propanoyl]phenyl] 4-methylbenzoate; morpholine Traditional Name: 4-methylbenzoic acid [2-[2-(4-benzyl-4-hydroxy-piperidino)propanoyl]phenyl] ester; morpholine Formula: C33H40N2O5 MolecularWeight: 544.6811

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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.C1COCCN1

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)C(C)N3CCC(CC3)(CC4=CC=CC=C4)O.C1COCCN1

InChI

InChI=1S/C29H31NO4.C4H9NO/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;1-3-6-4-2-5-1/h3-15,22,33H,16-20H2,1-2H3;5H,1-4H2