3-isoquinolin-4-ylprop-2-ynyl (E)-3-azanylbut-2-enoate

Systemtic Name: 3-isoquinolin-4-ylprop-2-ynyl (E)-3-azanylbut-2-enoate Openeye Name: 3-(4-isoquinolyl)prop-2-ynyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 3-(4-isoquinolinyl)prop-2-ynyl ester IUPAC Name: 3-isoquinolin-4-ylprop-2-ynyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 3-(4-isoquinolyl)prop-2-ynyl ester Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC#CC1=CN=CC2=CC=CC=C21)N

Isomeric SMILES

C/C(=C\C(=O)OCC#CC1=CN=CC2=CC=CC=C21)/N

InChI

InChI=1S/C16H14N2O2/c1-12(17)9-16(19)20-8-4-6-14-11-18-10-13-5-2-3-7-15(13)14/h2-3,5,7,9-11H,8,17H2,1H3/b12-9+