[(Z)-dodec-6-en-4,8-diynyl] 1H-phenanthro[9,10-b]pyrrole-2-carboxylate

Systemtic Name: [(Z)-dodec-6-en-4,8-diynyl] 1H-phenanthro[9,10-b]pyrrole-2-carboxylate Openeye Name: [(Z)-dodec-6-en-4,8-diynyl] 1H-phenanthro[9,10-b]pyrrole-2-carboxylate CAS Name: 1H-phenanthro[9,10-b]pyrrole-2-carboxylic acid [(Z)-dodec-6-en-4,8-diynyl] ester IUPAC Name: [(Z)-dodec-6-en-4,8-diynyl] 1H-phenanthro[9,10-b]pyrrole-2-carboxylate Traditional Name: 1H-phenanthro[9,10-b]pyrrole-2-carboxylic acid [(Z)-dodec-6-en-4,8-diynyl] ester Formula: C29H25NO2 MolecularWeight: 419.5143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC=CC#CCCCOC(=O)C1=CC2=C(N1)C3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CCCC#C/C=C\C#CCCCOC(=O)C1=CC2=C(N1)C3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C29H25NO2/c1-2-3-4-5-6-7-8-9-10-15-20-32-29(31)27-21-26-24-18-12-11-16-22(24)23-17-13-14-19-25(23)28(26)30-27/h6-7,11-14,16-19,21,30H,2-3,10,15,20H2,1H3/b7-6-