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

Systemtic Name: 3-methylbut-2-enyl (2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)amino]propanoate Openeye Name: 3-methylbut-2-enyl (2S)-2-(benzylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[(phenylmethyl)amino]propanoic acid 3-methylbut-2-enyl ester IUPAC Name: 3-methylbut-2-enyl (2S)-2-(benzylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-(benzylamino)-3-(1H-imidazol-5-yl)propionic acid 3-methylbut-2-enyl ester Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2/c1-14(2)8-9-23-18(22)17(10-16-12-19-13-21-16)20-11-15-6-4-3-5-7-15/h3-8,12-13,17,20H,9-11H2,1-2H3,(H,19,21)/t17-/m0/s1