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

Systemtic Name: (phenylmethyl) N-[(2S,3S)-1-[(3-cyanophenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-1-[(3-cyanophenyl)carbamoyl]-2-methyl-butyl]carbamate CAS Name: N-[(2S,3S)-1-(3-cyanoanilino)-3-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-1-(3-cyanoanilino)-3-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-[(3-cyanophenyl)carbamoyl]-2-methyl-butyl]carbamic acid benzyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-3-15(2)19(20(25)23-18-11-7-10-17(12-18)13-22)24-21(26)27-14-16-8-5-4-6-9-16/h4-12,15,19H,3,14H2,1-2H3,(H,23,25)(H,24,26)/t15-,19-/m0/s1