(phenylmethyl) N-[(2S)-3-methyl-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-[4-(4-methylbenzoyl)piperazine-1-carbonyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-(4-p-toluoylpiperazine-1-carbonyl)propyl]carbamic acid benzyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4/c1-18(2)22(26-25(31)32-17-20-7-5-4-6-8-20)24(30)28-15-13-27(14-16-28)23(29)21-11-9-19(3)10-12-21/h4-12,18,22H,13-17H2,1-3H3,(H,26,31)/t22-/m0/s1