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

Systemtic Name: (phenylmethyl) 2-(azepan-1-ylcarbonylamino)-3-methyl-pentanoate Openeye Name: benzyl 2-(azepane-1-carbonylamino)-3-methyl-pentanoate CAS Name: 2-[[1-azepanyl(oxo)methyl]amino]-3-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(azepane-1-carbonylamino)-3-methylpentanoate Traditional Name: 2-(azepane-1-carbonylamino)-3-methyl-valeric acid benzyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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