(3,3-dimethyl-2-oxidanylidene-pentanoyl) 1-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)piperidine-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-pentanoyl) 1-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)piperidine-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-pentanoyl) 1-allyl-3-(3,4,5-trimethoxyphenyl)piperidine-2-carboxylate CAS Name: 1-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)-2-piperidinecarboxylic acid (3,3-dimethyl-1,2-dioxopentyl) ester IUPAC Name: (3,3-dimethyl-2-oxopentanoyl) 1-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)piperidine-2-carboxylate Traditional Name: 1-allyl-3-(3,4,5-trimethoxyphenyl)pipecolinic acid (2-keto-3,3-dimethyl-pentanoyl) ester Formula: C25H35NO7 MolecularWeight: 461.5479

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)OC(=O)C1C(CCCN1CC=C)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)OC(=O)C1C(CCCN1CC=C)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C25H35NO7/c1-8-12-26-13-10-11-17(16-14-18(30-5)21(32-7)19(15-16)31-6)20(26)23(28)33-24(29)22(27)25(3,4)9-2/h8,14-15,17,20H,1,9-13H2,2-7H3