(phenylmethyl) N-[(2S)-1-[(3-cyanophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(3-cyanophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[(3-cyanophenyl)carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(3-cyanophenyl)carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=CC(=C1)C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O3/c1-14(2)18(19(24)22-17-10-6-9-16(11-17)12-21)23-20(25)26-13-15-7-4-3-5-8-15/h3-11,14,18H,13H2,1-2H3,(H,22,24)(H,23,25)/t18-/m0/s1