2-ethyl-3-oxidanylidene-4-[phenylmethoxycarbonyl(prop-2-enyl)amino]butanoic acid

Systemtic Name: 2-ethyl-3-oxidanylidene-4-[phenylmethoxycarbonyl(prop-2-enyl)amino]butanoic acid Openeye Name: 4-[allyl(benzyloxycarbonyl)amino]-2-ethyl-3-oxo-butanoic acid CAS Name: 2-ethyl-3-oxo-4-[phenylmethoxycarbonyl(prop-2-enyl)amino]butanoic acid IUPAC Name: 2-ethyl-3-oxo-4-[phenylmethoxycarbonyl(prop-2-enyl)amino]butanoic acid Traditional Name: 4-[allyl(carbobenzoxy)amino]-2-ethyl-3-keto-butyric acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)CN(CC=C)C(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCC(C(=O)CN(CC=C)C(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C17H21NO5/c1-3-10-18(11-15(19)14(4-2)16(20)21)17(22)23-12-13-8-6-5-7-9-13/h3,5-9,14H,1,4,10-12H2,2H3,(H,20,21)