2-cyanoethyl 3-[(phenylmethyl)amino]butanoate

Systemtic Name: 2-cyanoethyl 3-[(phenylmethyl)amino]butanoate Openeye Name: 2-cyanoethyl 3-(benzylamino)butanoate CAS Name: 3-[(phenylmethyl)amino]butanoic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 3-(benzylamino)butanoate Traditional Name: 3-(benzylamino)butyric acid 2-cyanoethyl ester Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCCC#N)NCC1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)OCCC#N)NCC1=CC=CC=C1

InChI

InChI=1S/C14H18N2O2/c1-12(10-14(17)18-9-5-8-15)16-11-13-6-3-2-4-7-13/h2-4,6-7,12,16H,5,9-11H2,1H3