3-phenylpropanal; 4-pyridin-3-ylbut-3-ynyl (E)-3-azanylbut-2-enoate

Systemtic Name: 3-phenylpropanal; 4-pyridin-3-ylbut-3-ynyl (E)-3-azanylbut-2-enoate Openeye Name: 3-phenylpropanal; 4-(3-pyridyl)but-3-ynyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 4-(3-pyridinyl)but-3-ynyl ester; 3-phenylpropanal IUPAC Name: 3-phenylpropanal; 4-pyridin-3-ylbut-3-ynyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 4-(3-pyridyl)but-3-ynyl ester; 3-phenylpropionaldehyde Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2.C9H10O/c1-11(14)9-13(16)17-8-3-2-5-12-6-4-7-15-10-12;10-8-4-7-9-5-2-1-3-6-9/h4,6-7,9-10H,3,8,14H2,1H3;1-3,5-6,8H,4,7H2/b11-9+;