1,7-diphenylheptyl (2S)-1-[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate

Systemtic Name: 1,7-diphenylheptyl (2S)-1-[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate Openeye Name: 1,7-diphenylheptyl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate CAS Name: (2S)-1-[1,2-dioxo-2-(3,4,5-trimethoxyphenyl)ethyl]-2-piperidinecarboxylic acid 1,7-diphenylheptyl ester IUPAC Name: 1,7-diphenylheptyl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[2-keto-2-(3,4,5-trimethoxyphenyl)acetyl]pipecolinic acid 1,7-diphenylheptyl ester Formula: C36H43NO7 MolecularWeight: 601.72912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCCCC2C(=O)OC(CCCCCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCCCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C36H43NO7/c1-41-31-24-28(25-32(42-2)34(31)43-3)33(38)35(39)37-23-15-14-21-29(37)36(40)44-30(27-19-11-7-12-20-27)22-13-5-4-8-16-26-17-9-6-10-18-26/h6-7,9-12,17-20,24-25,29-30H,4-5,8,13-16,21-23H2,1-3H3/t29-,30?/m0/s1