3-cyanopropyl 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: 3-cyanopropyl 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: 3-cyanopropyl 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid 3-cyanopropyl ester Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3/c1-11-5-6-13(9-12(11)2)15(19)17-10-14(18)20-8-4-3-7-16/h5-6,9H,3-4,8,10H2,1-2H3,(H,17,19)