heptyl (Z,4Z)-2-cyano-4-(1-hexadecylquinolin-4-ylidene)but-2-enoate

Systemtic Name: heptyl (Z,4Z)-2-cyano-4-(1-hexadecylquinolin-4-ylidene)but-2-enoate Openeye Name: heptyl (Z,4Z)-2-cyano-4-(1-hexadecyl-4-quinolylidene)but-2-enoate CAS Name: (Z,4Z)-2-cyano-4-(1-hexadecyl-4-quinolinylidene)-2-butenoic acid heptyl ester IUPAC Name: heptyl (Z,4Z)-2-cyano-4-(1-hexadecylquinolin-4-ylidene)but-2-enoate Traditional Name: (Z,4Z)-4-(1-cetyl-4-quinolylidene)-2-cyano-but-2-enoic acid heptyl ester Formula: C37H56N2O2 MolecularWeight: 560.85274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C=CC(=CC=C(C#N)C(=O)OCCCCCCC)C2=CC=CC=C21

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C=C/C(=C/C=C(/C#N)\C(=O)OCCCCCCC)/C2=CC=CC=C21

InChI

InChI=1S/C37H56N2O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-22-29-39-30-28-33(35-24-20-21-25-36(35)39)26-27-34(32-38)37(40)41-31-23-19-8-6-4-2/h20-21,24-28,30H,3-19,22-23,29,31H2,1-2H3/b33-26-,34-27-