methyl 5-azanyl-5-oxidanylidene-3-[(phenylmethyl)amino]pentanoate

Systemtic Name: methyl 5-azanyl-5-oxidanylidene-3-[(phenylmethyl)amino]pentanoate Openeye Name: methyl 5-amino-3-(benzylamino)-5-oxo-pentanoate CAS Name: 5-amino-5-oxo-3-[(phenylmethyl)amino]pentanoic acid methyl ester IUPAC Name: methyl 5-amino-3-(benzylamino)-5-oxopentanoate Traditional Name: 5-amino-3-(benzylamino)-5-keto-valeric acid methyl ester Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-18-13(17)8-11(7-12(14)16)15-9-10-5-3-2-4-6-10/h2-6,11,15H,7-9H2,1H3,(H2,14,16)