(phenylmethyl) N-[(2S)-1-[(4-butylphenyl)amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(4-butylphenyl)amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(4-butylanilino)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(4-butylanilino)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(4-butylanilino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(4-butylanilino)-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-3-4-8-17-11-13-19(14-12-17)23-20(24)16(2)22-21(25)26-15-18-9-6-5-7-10-18/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,22,25)(H,23,24)/t16-/m0/s1