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

Systemtic Name: 2-chloroethyl 3-[(phenylmethyl)amino]butanoate Openeye Name: 2-chloroethyl 3-(benzylamino)butanoate CAS Name: 3-[(phenylmethyl)amino]butanoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 3-(benzylamino)butanoate Traditional Name: 3-(benzylamino)butyric acid 2-chloroethyl ester Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCCCl)NCC1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)OCCCl)NCC1=CC=CC=C1

InChI

InChI=1S/C13H18ClNO2/c1-11(9-13(16)17-8-7-14)15-10-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3