methyl (2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)amino]propanoate Openeye Name: methyl (2S)-2-(benzylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(benzylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-(benzylamino)-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C14H17N3O2 MolecularWeight: 259.30368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CN=CN1)NCC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2/c1-19-14(18)13(7-12-9-15-10-17-12)16-8-11-5-3-2-4-6-11/h2-6,9-10,13,16H,7-8H2,1H3,(H,15,17)/t13-/m0/s1