2-[(prop-2-enoylamino)methyl]butanoyl benzoate

Systemtic Name: 2-[(prop-2-enoylamino)methyl]butanoyl benzoate Openeye Name: 2-[(prop-2-enoylamino)methyl]butanoyl benzoate CAS Name: benzoic acid [1-oxo-2-[(1-oxoprop-2-enylamino)methyl]butyl] ester IUPAC Name: 2-[(prop-2-enoylamino)methyl]butanoyl benzoate Traditional Name: benzoic acid 2-(acrylamidomethyl)butanoyl ester Formula: C15H17NO4 MolecularWeight: 275.29978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C=C)C(=O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(CNC(=O)C=C)C(=O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H17NO4/c1-3-11(10-16-13(17)4-2)14(18)20-15(19)12-8-6-5-7-9-12/h4-9,11H,2-3,10H2,1H3,(H,16,17)