(phenylmethyl) 2-(azepan-1-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-(azepan-1-ylcarbonylamino)-3-methyl-butanoate Openeye Name: benzyl 2-(azepane-1-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[1-azepanyl(oxo)methyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(azepane-1-carbonylamino)-3-methylbutanoate Traditional Name: 2-(azepane-1-carbonylamino)-3-methyl-butyric acid benzyl ester Formula: C19H28N2O3 MolecularWeight: 332.43722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)N2CCCCCC2

InChI

InChI=1S/C19H28N2O3/c1-15(2)17(18(22)24-14-16-10-6-5-7-11-16)20-19(23)21-12-8-3-4-9-13-21/h5-7,10-11,15,17H,3-4,8-9,12-14H2,1-2H3,(H,20,23)