methyl 4-[3-[4-(5-oxidanylidenepyrrolidin-2-yl)carbonylpiperazin-1-yl]propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-(5-oxidanylidenepyrrolidin-2-yl)carbonylpiperazin-1-yl]propoxy]benzoate Openeye Name: methyl 4-[3-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]propoxy]benzoate CAS Name: 4-[3-[4-[oxo-(5-oxo-2-pyrrolidinyl)methyl]-1-piperazinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]propoxy]benzoate Traditional Name: 4-[3-(4-pyroglutamoylpiperazino)propoxy]benzoic acid methyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C3CCC(=O)N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C3CCC(=O)N3

InChI

InChI=1S/C20H27N3O5/c1-27-20(26)15-3-5-16(6-4-15)28-14-2-9-22-10-12-23(13-11-22)19(25)17-7-8-18(24)21-17/h3-6,17H,2,7-14H2,1H3,(H,21,24)