2-[4-azanyl-2-cyano-3-(2-methylbutyl)phenyl]-3-(4-tetradecoxyphenyl)cyclopropene-1-carboxylate

Systemtic Name: 2-[4-azanyl-2-cyano-3-(2-methylbutyl)phenyl]-3-(4-tetradecoxyphenyl)cyclopropene-1-carboxylate Openeye Name: 2-[4-amino-2-cyano-3-(2-methylbutyl)phenyl]-3-(4-tetradecoxyphenyl)cyclopropene-1-carboxylate CAS Name: 2-[4-amino-2-cyano-3-(2-methylbutyl)phenyl]-3-(4-tetradecoxyphenyl)-1-cyclopropenecarboxylate IUPAC Name: 2-[4-amino-2-cyano-3-(2-methylbutyl)phenyl]-3-(4-tetradecoxyphenyl)cyclopropene-1-carboxylate Traditional Name: 2-[4-amino-2-cyano-3-(2-methylbutyl)phenyl]-3-(4-myristyloxyphenyl)cyclopropene-1-carboxylate Formula: C36H49N2O3- MolecularWeight: 557.78586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2C(=C2C(=O)[O-])C3=C(C(=C(C=C3)N)CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2C(=C2C(=O)[O-])C3=C(C(=C(C=C3)N)CC(C)CC)C#N

InChI

InChI=1S/C36H50N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-23-41-28-19-17-27(18-20-28)33-34(35(33)36(39)40)29-21-22-32(38)30(31(29)25-37)24-26(3)5-2/h17-22,26,33H,4-16,23-24,38H2,1-3H3,(H,39,40)/p-1