(phenylmethyl) 2-(azepan-2-ylcarbonylamino)-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) 2-(azepan-2-ylcarbonylamino)-4-methyl-pentanoate Openeye Name: benzyl 2-(azepane-2-carbonylamino)-4-methyl-pentanoate CAS Name: 2-[[2-azepanyl(oxo)methyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(azepane-2-carbonylamino)-4-methylpentanoate Traditional Name: 2-(azepane-2-carbonylamino)-4-methyl-valeric acid benzyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2CCCCCN2

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2CCCCCN2

InChI

InChI=1S/C20H30N2O3/c1-15(2)13-18(20(24)25-14-16-9-5-3-6-10-16)22-19(23)17-11-7-4-8-12-21-17/h3,5-6,9-10,15,17-18,21H,4,7-8,11-14H2,1-2H3,(H,22,23)