[(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methyl 1H-phenanthro[9,10-b]pyrrole-2-carboxylate

Systemtic Name: [(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methyl 1H-phenanthro[9,10-b]pyrrole-2-carboxylate Openeye Name: [(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methyl 1H-phenanthro[9,10-b]pyrrole-2-carboxylate CAS Name: 1H-phenanthro[9,10-b]pyrrole-2-carboxylic acid [(5Z)-1-cyclodec-5-en-3,7-diynyl]methyl ester IUPAC Name: [(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methyl 1H-phenanthro[9,10-b]pyrrole-2-carboxylate Traditional Name: 1H-phenanthro[9,10-b]pyrrole-2-carboxylic acid [(5Z)-cyclodec-5-en-3,7-diyn-1-yl]methyl ester Formula: C28H21NO2 MolecularWeight: 403.47184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC#CC=CC#C1)COC(=O)C2=CC3=C(N2)C4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

C1CC(CC#C/C=C\C#C1)COC(=O)C2=CC3=C(N2)C4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C28H21NO2/c30-28(31-19-20-12-6-4-2-1-3-5-7-13-20)26-18-25-23-16-9-8-14-21(23)22-15-10-11-17-24(22)27(25)29-26/h1-2,8-11,14-18,20,29H,7,12-13,19H2/b2-1-