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

Systemtic Name: methyl 3-[3,17-bis(2-methoxy-2-oxidanylidene-ethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-8,8,12,13-tetramethyl-7-(3-oxidanylpropyl)-21,24-dihydro-7H-porphyrin-2-yl]propanoate Openeye Name: methyl 3-[7-(3-hydroxypropyl)-3,17-bis(2-methoxy-2-oxo-ethyl)-18-(3-methoxy-3-oxo-propyl)-8,8,12,13-tetramethyl-21,24-dihydro-7H-porphyrin-2-yl]propanoate CAS Name: 3-[7-(3-hydroxypropyl)-3,17-bis(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-8,8,12,13-tetramethyl-21,24-dihydro-7H-porphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[7-(3-hydroxypropyl)-3,17-bis(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-8,8,12,13-tetramethyl-21,24-dihydro-7H-porphyrin-2-yl]propanoate Traditional Name: 3-[7-(3-hydroxypropyl)-3,17-bis(2-keto-2-methoxy-ethyl)-18-(3-keto-3-methoxy-propyl)-8,8,12,13-tetramethyl-21,24-dihydro-7H-porphin-2-yl]propionic acid methyl ester Formula: C41H50N4O9 MolecularWeight: 742.8571

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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(C3(C)C)CCCO)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(C3(C)C)CCCO)C

InChI

InChI=1S/C41H50N4O9/c1-22-23(2)30-21-36-41(3,4)28(10-9-15-46)35(45-36)20-34-27(17-40(50)54-8)25(12-14-38(48)52-6)32(44-34)19-31-24(11-13-37(47)51-5)26(16-39(49)53-7)33(43-31)18-29(22)42-30/h18-21,28,43-44,46H,9-17H2,1-8H3