octadecyl (2Z,4E,6E)-7-(4-azanyl-2,3-dimethyl-phenyl)-2-cyano-hepta-2,4,6-trienoate

Systemtic Name: octadecyl (2Z,4E,6E)-7-(4-azanyl-2,3-dimethyl-phenyl)-2-cyano-hepta-2,4,6-trienoate Openeye Name: octadecyl (2Z,4E,6E)-7-(4-amino-2,3-dimethyl-phenyl)-2-cyano-hepta-2,4,6-trienoate CAS Name: (2Z,4E,6E)-7-(4-amino-2,3-dimethylphenyl)-2-cyanohepta-2,4,6-trienoic acid octadecyl ester IUPAC Name: octadecyl (2Z,4E,6E)-7-(4-amino-2,3-dimethylphenyl)-2-cyanohepta-2,4,6-trienoate Traditional Name: (2Z,4E,6E)-7-(4-amino-2,3-dimethyl-phenyl)-2-cyano-hepta-2,4,6-trienoic acid stearyl ester Formula: C34H52N2O2 MolecularWeight: 520.78888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(=CC=CC=CC1=C(C(=C(C=C1)N)C)C)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)/C(=C\C=C\C=C\C1=C(C(=C(C=C1)N)C)C)/C#N

InChI

InChI=1S/C34H52N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-38-34(37)32(28-35)24-21-19-20-23-31-25-26-33(36)30(3)29(31)2/h19-21,23-26H,4-18,22,27,36H2,1-3H3/b21-19+,23-20+,32-24-