5-ethoxy-2-methyl-5-oxidanylidene-3-[(phenylmethyl)amino]pentanoate

Systemtic Name: 5-ethoxy-2-methyl-5-oxidanylidene-3-[(phenylmethyl)amino]pentanoate Openeye Name: 3-(benzylamino)-5-ethoxy-2-methyl-5-oxo-pentanoate CAS Name: 5-ethoxy-2-methyl-5-oxo-3-[(phenylmethyl)amino]pentanoate IUPAC Name: 3-(benzylamino)-5-ethoxy-2-methyl-5-oxopentanoate Traditional Name: 3-(benzylamino)-5-ethoxy-5-keto-2-methyl-valerate Formula: C15H20NO4- MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C)C(=O)[O-])NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CC(C(C)C(=O)[O-])NCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO4/c1-3-20-14(17)9-13(11(2)15(18)19)16-10-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,18,19)/p-1