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

Systemtic Name: methyl 3-[12-(2-hydroxyethyl)-3,17-bis(2-methoxy-2-oxidanylidene-ethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-7,8,13,13-tetramethyl-21,24-dihydro-12H-porphyrin-2-yl]propanoate Openeye Name: methyl 3-[12-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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: C40H48N4O9 MolecularWeight: 728.83052

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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(C3CCO)(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(C3CCO)(C)C)C

InChI

InChI=1S/C40H48N4O9/c1-21-22(2)29-18-34-27(13-14-45)40(3,4)35(44-34)20-33-26(16-39(49)53-8)24(10-12-37(47)51-6)31(43-33)19-30-23(9-11-36(46)50-5)25(15-38(48)52-7)32(42-30)17-28(21)41-29/h17-20,27,42-43,45H,9-16H2,1-8H3