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

Systemtic Name: methyl 4-chloranyl-3-[(phenylmethyl)amino]butanoate Openeye Name: methyl 3-(benzylamino)-4-chloro-butanoate CAS Name: 4-chloro-3-[(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 3-(benzylamino)-4-chlorobutanoate Traditional Name: 3-(benzylamino)-4-chloro-butyric acid methyl ester Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCl)NCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CC(CCl)NCC1=CC=CC=C1

InChI

InChI=1S/C12H16ClNO2/c1-16-12(15)7-11(8-13)14-9-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3