ethyl (2S,3R)-2,4-dimethyl-3-[(phenylmethyl)amino]pentanoate

Systemtic Name: ethyl (2S,3R)-2,4-dimethyl-3-[(phenylmethyl)amino]pentanoate Openeye Name: ethyl (2S,3R)-3-(benzylamino)-2,4-dimethyl-pentanoate CAS Name: (2S,3R)-2,4-dimethyl-3-[(phenylmethyl)amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-(benzylamino)-2,4-dimethylpentanoate Traditional Name: (2S,3R)-3-(benzylamino)-2,4-dimethyl-valeric acid ethyl ester Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(C(C)C)NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@@H](C)[C@@H](C(C)C)NCC1=CC=CC=C1

InChI

InChI=1S/C16H25NO2/c1-5-19-16(18)13(4)15(12(2)3)17-11-14-9-7-6-8-10-14/h6-10,12-13,15,17H,5,11H2,1-4H3/t13-,15+/m0/s1