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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-4-15(2)18-10-12-19(13-11-18)23-20(24)16(3)22-21(25)26-14-17-8-6-5-7-9-17/h5-13,15-16H,4,14H2,1-3H3,(H,22,25)(H,23,24)/t15?,16-/m0/s1