3-cyanopropyl 2-[(4-methylphenyl)carbonylamino]ethanoate

Systemtic Name: 3-cyanopropyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: 3-cyanopropyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid 3-cyanopropyl ester Formula: C14H16N2O3 MolecularWeight: 260.28844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)OCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OCCCC#N

InChI

InChI=1S/C14H16N2O3/c1-11-4-6-12(7-5-11)14(18)16-10-13(17)19-9-3-2-8-15/h4-7H,2-3,9-10H2,1H3,(H,16,18)