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

Systemtic Name: (phenylmethyl) N-[(2S,3S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-1-(azepane-1-carbonyl)-2-methyl-butyl]carbamate CAS Name: N-[(2S,3S)-1-(1-azepanyl)-3-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-1-(azepan-1-yl)-3-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-(azepane-1-carbonyl)-2-methyl-butyl]carbamic acid benzyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H30N2O3/c1-3-16(2)18(19(23)22-13-9-4-5-10-14-22)21-20(24)25-15-17-11-7-6-8-12-17/h6-8,11-12,16,18H,3-5,9-10,13-15H2,1-2H3,(H,21,24)/t16-,18-/m0/s1