diethyl 10,20-bis(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5,15-dicarboxylate

Systemtic Name: diethyl 10,20-bis(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5,15-dicarboxylate Openeye Name: diethyl 10,20-bis(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5,15-dicarboxylate CAS Name: 10,20-bis(1-methyl-2-imidazolyl)-21,24-dihydroporphyrin-5,15-dicarboxylic acid diethyl ester IUPAC Name: diethyl 10,20-bis(1-methylimidazol-2-yl)-21,24-dihydroporphyrin-5,15-dicarboxylate Traditional Name: 10,20-bis(1-methylimidazol-2-yl)-21,24-dihydroporphine-5,15-dicarboxylic acid diethyl ester Formula: C34H30N8O4 MolecularWeight: 614.6532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=NC=CN6C)C(=O)OCC)C7=NC=CN7C)N2

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=NC=CN6C)C(=O)OCC)C7=NC=CN7C)N2

InChI

InChI=1S/C34H30N8O4/c1-5-45-33(43)29-23-11-7-19(37-23)27(31-35-15-17-41(31)3)21-9-13-25(39-21)30(34(44)46-6-2)26-14-10-22(40-26)28(20-8-12-24(29)38-20)32-36-16-18-42(32)4/h7-18,37,39H,5-6H2,1-4H3