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

Systemtic Name: methyl (E,4Z)-2-cyano-4-(1-hexadecylquinolin-4-ylidene)but-2-enoate Openeye Name: methyl (E,4Z)-2-cyano-4-(1-hexadecyl-4-quinolylidene)but-2-enoate CAS Name: (E,4Z)-2-cyano-4-(1-hexadecyl-4-quinolinylidene)-2-butenoic acid methyl ester IUPAC Name: methyl (E,4Z)-2-cyano-4-(1-hexadecylquinolin-4-ylidene)but-2-enoate Traditional Name: (E,4Z)-4-(1-cetyl-4-quinolylidene)-2-cyano-but-2-enoic acid methyl ester Formula: C31H44N2O2 MolecularWeight: 476.69326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-25-23-27(29-19-16-17-20-30(29)33)21-22-28(26-32)31(34)35-2/h16-17,19-23,25H,3-15,18,24H2,1-2H3/b27-21-,28-22+