methyl 5-oxidanylidene-5-[(phenylmethyl)amino]pentanoate

Systemtic Name: methyl 5-oxidanylidene-5-[(phenylmethyl)amino]pentanoate Openeye Name: methyl 5-(benzylamino)-5-oxo-pentanoate CAS Name: 5-oxo-5-[(phenylmethyl)amino]pentanoic acid methyl ester IUPAC Name: methyl 5-(benzylamino)-5-oxopentanoate Traditional Name: 5-(benzylamino)-5-keto-valeric acid methyl ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3/c1-17-13(16)9-5-8-12(15)14-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,14,15)