diethyl 3-bromanyl-10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxylate

Systemtic Name: diethyl 3-bromanyl-10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxylate Openeye Name: diethyl 3-bromo-10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxylate CAS Name: 3-bromo-10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-bromo-10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxylate Traditional Name: 3-bromo-10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphine-2,12-dicarboxylic acid diethyl ester Formula: C31H35BrN4O5 MolecularWeight: 623.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(CC(=N5)C(=C1N2)OC)(C)C)Br)C(=O)OCC)CC3(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(CC(=N5)C(=C1N2)OC)(C)C)Br)C(=O)OCC)CC3(C)C

InChI

InChI=1S/C31H35BrN4O5/c1-8-40-28(37)18-10-16-12-22-30(3,4)14-17(33-22)11-19-24(29(38)41-9-2)25(32)20(35-19)13-23-31(5,6)15-21(36-23)27(39-7)26(18)34-16/h10-13,34-35H,8-9,14-15H2,1-7H3