methyl 2-[1-(cyclohexylcarbamoyl)-6-(2-methylpropyl)-5-oxidanylidene-4-(phenylmethyl)piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(cyclohexylcarbamoyl)-6-(2-methylpropyl)-5-oxidanylidene-4-(phenylmethyl)piperazin-2-yl]ethanoate Openeye Name: methyl 2-[4-benzyl-1-(cyclohexylcarbamoyl)-6-isobutyl-5-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(cyclohexylamino)-oxomethyl]-6-(2-methylpropyl)-5-oxo-4-(phenylmethyl)-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-benzyl-1-(cyclohexylcarbamoyl)-6-(2-methylpropyl)-5-oxopiperazin-2-yl]acetate Traditional Name: 2-[4-benzyl-1-(cyclohexylcarbamoyl)-6-isobutyl-5-keto-piperazin-2-yl]acetic acid methyl ester Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N(CC(N1C(=O)NC2CCCCC2)CC(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1C(=O)N(CC(N1C(=O)NC2CCCCC2)CC(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C25H37N3O4/c1-18(2)14-22-24(30)27(16-19-10-6-4-7-11-19)17-21(15-23(29)32-3)28(22)25(31)26-20-12-8-5-9-13-20/h4,6-7,10-11,18,20-22H,5,8-9,12-17H2,1-3H3,(H,26,31)