ethyl (3Z,5E,7E)-7-butanoyl-1-[(E)-2-phenylethenyl]-2H-azocine-6-carboxylate

Systemtic Name: ethyl (3Z,5E,7E)-7-butanoyl-1-[(E)-2-phenylethenyl]-2H-azocine-6-carboxylate Openeye Name: ethyl (3Z,5E,7E)-7-butanoyl-1-[(E)-styryl]-2H-azocine-6-carboxylate CAS Name: (3Z,5E,7E)-7-(1-oxobutyl)-1-[(E)-2-phenylethenyl]-2H-azocine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3Z,5E,7E)-7-butanoyl-1-[(E)-2-phenylethenyl]-2H-azocine-6-carboxylate Traditional Name: (3Z,5E,7E)-7-butyryl-1-[(E)-styryl]-2H-azocine-6-carboxylic acid ethyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN(CC=CC=C1C(=O)OCC)C=CC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)/C/1=C/N(C/C=C/C=C1/C(=O)OCC)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C22H25NO3/c1-3-10-21(24)20-17-23(16-14-18-11-6-5-7-12-18)15-9-8-13-19(20)22(25)26-4-2/h5-9,11-14,16-17H,3-4,10,15H2,1-2H3/b9-8-,16-14+,19-13+,20-17+