4-ethoxy-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-ethoxy-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid Openeye Name: 2-(benzylamino)-4-ethoxy-4-oxo-butanoic acid CAS Name: 4-ethoxy-4-oxo-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: 2-(benzylamino)-4-ethoxy-4-oxobutanoic acid Traditional Name: 2-(benzylamino)-4-ethoxy-4-keto-butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)O)NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CC(C(=O)O)NCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO4/c1-2-18-12(15)8-11(13(16)17)14-9-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,16,17)