methyl 4-chloranyl-3,3-dimethyl-2-[(phenylmethyl)amino]butanoate

Systemtic Name: methyl 4-chloranyl-3,3-dimethyl-2-[(phenylmethyl)amino]butanoate Openeye Name: methyl 2-(benzylamino)-4-chloro-3,3-dimethyl-butanoate CAS Name: 4-chloro-3,3-dimethyl-2-[(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-4-chloro-3,3-dimethylbutanoate Traditional Name: 2-(benzylamino)-4-chloro-3,3-dimethyl-butyric acid methyl ester Formula: C14H20ClNO2 MolecularWeight: 269.7671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(C(=O)OC)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)(CCl)C(C(=O)OC)NCC1=CC=CC=C1

InChI

InChI=1S/C14H20ClNO2/c1-14(2,10-15)12(13(17)18-3)16-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3