3-phenylpropanal; 3-pyridin-3-ylprop-2-ynyl (E)-3-azanylbut-2-enoate

Systemtic Name: 3-phenylpropanal; 3-pyridin-3-ylprop-2-ynyl (E)-3-azanylbut-2-enoate Openeye Name: 3-phenylpropanal; 3-(3-pyridyl)prop-2-ynyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 3-(3-pyridinyl)prop-2-ynyl ester; 3-phenylpropanal IUPAC Name: 3-phenylpropanal; 3-pyridin-3-ylprop-2-ynyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 3-(3-pyridyl)prop-2-ynyl ester; 3-phenylpropionaldehyde Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC#CC1=CN=CC=C1)N.C1=CC=C(C=C1)CCC=O

Isomeric SMILES

C/C(=C\C(=O)OCC#CC1=CN=CC=C1)/N.C1=CC=C(C=C1)CCC=O

InChI

InChI=1S/C12H12N2O2.C9H10O/c1-10(13)8-12(15)16-7-3-5-11-4-2-6-14-9-11;10-8-4-7-9-5-2-1-3-6-9/h2,4,6,8-9H,7,13H2,1H3;1-3,5-6,8H,4,7H2/b10-8+;