methyl 2-[3-oxidanylidene-1-[4-(piperidin-1-ylmethyl)phenyl]carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-[4-(piperidin-1-ylmethyl)phenyl]carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-[4-(1-piperidylmethyl)benzoyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-[4-(1-piperidinylmethyl)phenyl]methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-[4-(piperidin-1-ylmethyl)benzoyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[4-(piperidinomethyl)benzoyl]piperazin-2-yl]acetic acid methyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C20H27N3O4/c1-27-18(24)13-17-19(25)21-9-12-23(17)20(26)16-7-5-15(6-8-16)14-22-10-3-2-4-11-22/h5-8,17H,2-4,9-14H2,1H3,(H,21,25)