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

Systemtic Name: diethyl 10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxylate Openeye Name: diethyl 10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxylate CAS Name: 10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxylic acid diethyl ester IUPAC Name: diethyl 10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphyrin-2,12-dicarboxylate Traditional Name: 10-methoxy-7,7,17,17-tetramethyl-8,18,21,23-tetrahydroporphine-2,12-dicarboxylic acid diethyl ester Formula: C31H36N4O5 MolecularWeight: 544.64134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC3=NC(=C(C4=C(C=C(N4)C=C5C(CC(=N5)C=C1N2)(C)C)C(=O)OCC)OC)CC3(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=CC3=NC(=C(C4=C(C=C(N4)C=C5C(CC(=N5)C=C1N2)(C)C)C(=O)OCC)OC)CC3(C)C

InChI

InChI=1S/C31H36N4O5/c1-8-39-28(36)20-10-17-13-25-31(5,6)16-23(35-25)27(38-7)26-21(29(37)40-9-2)11-18(34-26)14-24-30(3,4)15-19(33-24)12-22(20)32-17/h10-14,32,34H,8-9,15-16H2,1-7H3