(phenylmethyl) 2-[4-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(5-methylisoxazole-3-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(5-methyl-3-isoxazolyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(5-methylisoxazole-3-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O4/c1-15-12-17(20-26-15)19(24)22-9-5-8-21(10-11-22)13-18(23)25-14-16-6-3-2-4-7-16/h2-4,6-7,12H,5,8-11,13-14H2,1H3