(phenylmethyl) 2-[4-(3-methyl-3-oxidanyl-pentanoyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(3-methyl-3-oxidanyl-pentanoyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(3-hydroxy-3-methyl-pentanoyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-(3-hydroxy-3-methyl-1-oxopentyl)-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(3-hydroxy-3-methylpentanoyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(3-hydroxy-3-methyl-pentanoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)N1CCCN(CC1)CC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCC(C)(CC(=O)N1CCCN(CC1)CC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C20H30N2O4/c1-3-20(2,25)14-18(23)22-11-7-10-21(12-13-22)15-19(24)26-16-17-8-5-4-6-9-17/h4-6,8-9,25H,3,7,10-16H2,1-2H3