methyl 12-ethenyl-7-ethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-carboxylate

Systemtic Name: methyl 12-ethenyl-7-ethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-carboxylate Openeye Name: methyl 7-ethyl-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-12-vinyl-21,23-dihydroporphyrin-2-carboxylate CAS Name: 12-ethenyl-7-ethyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-carboxylic acid methyl ester IUPAC Name: methyl 12-ethenyl-7-ethyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-carboxylate Traditional Name: 7-ethyl-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-12-vinyl-21,23-dihydroporphine-2-carboxylic acid methyl ester Formula: C34H36N4O4 MolecularWeight: 564.67404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)N5)C=C)C)C)CCC(=O)OC)C(=O)OC)C)C

Isomeric SMILES

CCC1=C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)N5)C=C)C)C)CCC(=O)OC)C(=O)OC)C)C

InChI

InChI=1S/C34H36N4O4/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/h9,13-16,35,38H,1,10-12H2,2-8H3