[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C29H39NO3/c1-28(2,3)24-17-23(18-25(19-24)29(4,5)6)27(32)33-20-26(31)30-14-12-22(13-15-30)16-21-10-8-7-9-11-21/h7-11,17-19,22H,12-16,20H2,1-6H3