1-phenylheptan-4-yl 1,3-dimethyl-2-(3-oxidanylidenebutanoyl)-4-phenyl-piperidine-2-carboxylate

Systemtic Name: 1-phenylheptan-4-yl 1,3-dimethyl-2-(3-oxidanylidenebutanoyl)-4-phenyl-piperidine-2-carboxylate Openeye Name: (4-phenyl-1-propyl-butyl) 1,3-dimethyl-2-(3-oxobutanoyl)-4-phenyl-piperidine-2-carboxylate CAS Name: 2-(1,3-dioxobutyl)-1,3-dimethyl-4-phenyl-2-piperidinecarboxylic acid 1-phenylheptan-4-yl ester IUPAC Name: 1-phenylheptan-4-yl 1,3-dimethyl-2-(3-oxobutanoyl)-4-phenylpiperidine-2-carboxylate Traditional Name: 2-acetoacetyl-1,3-dimethyl-4-phenyl-pipecolinic acid (4-phenyl-1-propyl-butyl) ester Formula: C31H41NO4 MolecularWeight: 491.66154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC1=CC=CC=C1)OC(=O)C2(C(C(CCN2C)C3=CC=CC=C3)C)C(=O)CC(=O)C

Isomeric SMILES

CCCC(CCCC1=CC=CC=C1)OC(=O)C2(C(C(CCN2C)C3=CC=CC=C3)C)C(=O)CC(=O)C

InChI

InChI=1S/C31H41NO4/c1-5-13-27(19-12-16-25-14-8-6-9-15-25)36-30(35)31(29(34)22-23(2)33)24(3)28(20-21-32(31)4)26-17-10-7-11-18-26/h6-11,14-15,17-18,24,27-28H,5,12-13,16,19-22H2,1-4H3