(phenylmethyl) N-[1-butyl-2-oxidanylidene-3-(3-oxidanylpropyl)azepan-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-butyl-2-oxidanylidene-3-(3-oxidanylpropyl)azepan-3-yl]carbamate Openeye Name: benzyl N-[1-butyl-3-(3-hydroxypropyl)-2-oxo-azepan-3-yl]carbamate CAS Name: N-[1-butyl-3-(3-hydroxypropyl)-2-oxo-3-azepanyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-butyl-3-(3-hydroxypropyl)-2-oxoazepan-3-yl]carbamate Traditional Name: N-[1-butyl-3-(3-hydroxypropyl)-2-keto-azepan-3-yl]carbamic acid benzyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCCC(C1=O)(CCCO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCN1CCCCC(C1=O)(CCCO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H32N2O4/c1-2-3-14-23-15-8-7-12-21(19(23)25,13-9-16-24)22-20(26)27-17-18-10-5-4-6-11-18/h4-6,10-11,24H,2-3,7-9,12-17H2,1H3,(H,22,26)