(phenylmethyl) N-[(2S)-1-[2-(butylcarbamoyl)azepan-1-yl]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[2-(butylcarbamoyl)azepan-1-yl]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[2-(butylcarbamoyl)azepane-1-carbonyl]propyl]carbamate CAS Name: N-[(2S)-1-[2-[butylamino(oxo)methyl]-1-azepanyl]-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[2-(butylcarbamoyl)azepan-1-yl]-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[2-(butylcarbamoyl)azepane-1-carbonyl]propyl]carbamic acid benzyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CCCCCN1C(=O)C(CC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C1CCCCCN1C(=O)[C@H](CC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H35N3O4/c1-3-5-15-24-21(27)20-14-10-7-11-16-26(20)22(28)19(4-2)25-23(29)30-17-18-12-8-6-9-13-18/h6,8-9,12-13,19-20H,3-5,7,10-11,14-17H2,1-2H3,(H,24,27)(H,25,29)/t19-,20?/m0/s1