ethyl 5,15-bis(4-cyanophenyl)-22,24-dihydro-21H-corrin-10-carboxylate

Systemtic Name: ethyl 5,15-bis(4-cyanophenyl)-22,24-dihydro-21H-corrin-10-carboxylate Openeye Name: ethyl 5,15-bis(4-cyanophenyl)-22,24-dihydro-21H-corrin-10-carboxylate CAS Name: 5,15-bis(4-cyanophenyl)-22,24-dihydro-21H-corrin-10-carboxylic acid ethyl ester IUPAC Name: ethyl 5,15-bis(4-cyanophenyl)-22,24-dihydro-21H-corrin-10-carboxylate Traditional Name: 5,15-bis(4-cyanophenyl)-22,24-dihydro-21H-corrin-10-carboxylic acid ethyl ester Formula: C36H24N6O2 MolecularWeight: 572.61476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=C(C3=CC=C(N3)C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N)N2

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=C(C3=CC=C(N3)C4=CC=C(N4)C(=C5C=CC1=N5)C6=CC=C(C=C6)C#N)C7=CC=C(C=C7)C#N)N2

InChI

InChI=1S/C36H24N6O2/c1-2-44-36(43)35-31-17-15-29(41-31)33(23-7-3-21(19-37)4-8-23)27-13-11-25(39-27)26-12-14-28(40-26)34(30-16-18-32(35)42-30)24-9-5-22(20-38)6-10-24/h3-18,39-41H,2H2,1H3