methyl 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazinyl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[1-(3,5-dimethoxybenzyl)-3-keto-piperazin-2-yl]acetyl]isonipecotic acid methyl ester Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCNC(=O)C2CC(=O)N3CCC(CC3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCNC(=O)C2CC(=O)N3CCC(CC3)C(=O)OC)OC

InChI

InChI=1S/C22H31N3O6/c1-29-17-10-15(11-18(12-17)30-2)14-25-9-6-23-21(27)19(25)13-20(26)24-7-4-16(5-8-24)22(28)31-3/h10-12,16,19H,4-9,13-14H2,1-3H3,(H,23,27)