methyl 4-[2-(3-oxidanylidenepiperazin-1-yl)carbonyl-1-phenyl-piperidin-2-yl]butanoate

Systemtic Name: methyl 4-[2-(3-oxidanylidenepiperazin-1-yl)carbonyl-1-phenyl-piperidin-2-yl]butanoate Openeye Name: methyl 4-[2-(3-oxopiperazine-1-carbonyl)-1-phenyl-2-piperidyl]butanoate CAS Name: 4-[2-[oxo-(3-oxo-1-piperazinyl)methyl]-1-phenyl-2-piperidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(3-oxopiperazine-1-carbonyl)-1-phenylpiperidin-2-yl]butanoate Traditional Name: 4-[2-(3-ketopiperazine-1-carbonyl)-1-phenyl-2-piperidyl]butyric acid methyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1(CCCCN1C2=CC=CC=C2)C(=O)N3CCNC(=O)C3

Isomeric SMILES

COC(=O)CCCC1(CCCCN1C2=CC=CC=C2)C(=O)N3CCNC(=O)C3

InChI

InChI=1S/C21H29N3O4/c1-28-19(26)10-7-12-21(20(27)23-15-13-22-18(25)16-23)11-5-6-14-24(21)17-8-3-2-4-9-17/h2-4,8-9H,5-7,10-16H2,1H3,(H,22,25)