(phenylmethyl) N-[(3S)-1-[(4-chlorophenyl)amino]-4-methyl-1-oxidanylidene-pentan-3-yl]oxycarbamate

Systemtic Name: (phenylmethyl) N-[(3S)-1-[(4-chlorophenyl)amino]-4-methyl-1-oxidanylidene-pentan-3-yl]oxycarbamate Openeye Name: benzyl N-[(1S)-3-(4-chloroanilino)-1-isopropyl-3-oxo-propoxy]carbamate CAS Name: N-[(3S)-1-(4-chloroanilino)-4-methyl-1-oxopentan-3-yl]oxycarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S)-1-(4-chloroanilino)-4-methyl-1-oxopentan-3-yl]oxycarbamate Traditional Name: N-[(1S)-3-(4-chloroanilino)-1-isopropyl-3-keto-propoxy]carbamic acid benzyl ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)NC1=CC=C(C=C1)Cl)ONC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](CC(=O)NC1=CC=C(C=C1)Cl)ONC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H23ClN2O4/c1-14(2)18(12-19(24)22-17-10-8-16(21)9-11-17)27-23-20(25)26-13-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,22,24)(H,23,25)/t18-/m0/s1