ethyl 4-[(Z)-1-chloranyloctadec-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[(Z)-1-chloranyloctadec-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(Z)-1-chlorooctadec-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(Z)-1-chlorooctadec-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-1-chlorooctadec-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(Z)-1-chlorooctadec-1-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C27H46ClNO2 MolecularWeight: 452.11264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=C(C1=C(NC(=C1C)C(=O)OCC)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C(/C1=C(NC(=C1C)C(=O)OCC)C)\Cl

InChI

InChI=1S/C27H46ClNO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(28)25-22(3)26(29-23(25)4)27(30)31-6-2/h21,29H,5-20H2,1-4H3/b24-21-