[4-butyl-2,6-bis(oxidanylidene)piperazin-1-yl]methyl 3-methylbenzoate

Systemtic Name: [4-butyl-2,6-bis(oxidanylidene)piperazin-1-yl]methyl 3-methylbenzoate Openeye Name: (4-butyl-2,6-dioxo-piperazin-1-yl)methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid (4-butyl-2,6-dioxo-1-piperazinyl)methyl ester IUPAC Name: (4-butyl-2,6-dioxopiperazin-1-yl)methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (4-butyl-2,6-diketo-piperazino)methyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(=O)N(C(=O)C1)COC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCN1CC(=O)N(C(=O)C1)COC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C17H22N2O4/c1-3-4-8-18-10-15(20)19(16(21)11-18)12-23-17(22)14-7-5-6-13(2)9-14/h5-7,9H,3-4,8,10-12H2,1-2H3