methyl 3-[3,17-bis(2-methoxy-2-oxidanylidene-ethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-7,8,13,13-tetramethyl-12-oxidanyl-21,24-dihydro-12H-porphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[3,17-bis(2-methoxy-2-oxidanylidene-ethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-7,8,13,13-tetramethyl-12-oxidanyl-21,24-dihydro-12H-porphyrin-2-yl]propanoate Openeye Name: methyl 3-[12-hydroxy-3,17-bis(2-methoxy-2-oxo-ethyl)-18-(3-methoxy-3-oxo-propyl)-7,8,13,13-tetramethyl-21,24-dihydro-12H-porphyrin-2-yl]propanoate CAS Name: 3-[12-hydroxy-3,17-bis(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-7,8,13,13-tetramethyl-21,24-dihydro-12H-porphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[12-hydroxy-3,17-bis(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-7,8,13,13-tetramethyl-21,24-dihydro-12H-porphyrin-2-yl]propanoate Traditional Name: 3-[12-hydroxy-3,17-bis(2-keto-2-methoxy-ethyl)-18-(3-keto-3-methoxy-propyl)-7,8,13,13-tetramethyl-21,24-dihydro-12H-porphin-2-yl]propionic acid methyl ester Formula: C38H44N4O9 MolecularWeight: 700.77736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)CC(=O)OC)CCC(=O)OC)CCC(=O)OC)CC(=O)OC)C(C3O)(C)C)C

Isomeric SMILES

CC1=C(C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)CC(=O)OC)CCC(=O)OC)CCC(=O)OC)CC(=O)OC)C(C3O)(C)C)C

InChI

InChI=1S/C38H44N4O9/c1-19-20(2)26-16-31-37(47)38(3,4)32(42-31)18-30-24(14-36(46)51-8)22(10-12-34(44)49-6)28(41-30)17-27-21(9-11-33(43)48-5)23(13-35(45)50-7)29(40-27)15-25(19)39-26/h15-18,37,40-41,47H,9-14H2,1-8H3