methyl 7,12-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-carboxylate

Systemtic Name: methyl 7,12-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-carboxylate Openeye Name: methyl 7,12-diethyl-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-carboxylate CAS Name: 7,12-diethyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-carboxylic acid methyl ester IUPAC Name: methyl 7,12-diethyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-carboxylate Traditional Name: 7,12-diethyl-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-21,22-dihydroporphine-2-carboxylic acid methyl ester Formula: C34H38N4O4 MolecularWeight: 566.68992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC)C(=C4CCC(=O)OC)C)N3)C(=O)OC)C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC)C(=C4CCC(=O)OC)C)N3)C(=O)OC)C

InChI

InChI=1S/C34H38N4O4/c1-9-21-17(3)24-13-25-19(5)23(11-12-32(39)41-7)30(37-25)16-31-33(34(40)42-8)20(6)27(38-31)15-29-22(10-2)18(4)26(36-29)14-28(21)35-24/h13-16,36,38H,9-12H2,1-8H3