(phenylmethyl) 2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) 2-(azepan-1-ylcarbonylamino)-4-methyl-pentanoate Openeye Name: benzyl 2-(azepane-1-carbonylamino)-4-methyl-pentanoate CAS Name: 2-[[1-azepanyl(oxo)methyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(azepane-1-carbonylamino)-4-methylpentanoate Traditional Name: 2-(azepane-1-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)N2CCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-16(2)14-18(19(23)25-15-17-10-6-5-7-11-17)21-20(24)22-12-8-3-4-9-13-22/h5-7,10-11,16,18H,3-4,8-9,12-15H2,1-2H3,(H,21,24)