methyl 3-[(7R,8S)-8-[2-(dimethylamino)-2-oxidanylidene-ethyl]-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-7-[4-(oxan-2-yloxy)butyl]-21,23-dihydro-7H-porphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[(7R,8S)-8-[2-(dimethylamino)-2-oxidanylidene-ethyl]-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-7-[4-(oxan-2-yloxy)butyl]-21,23-dihydro-7H-porphyrin-2-yl]propanoate Openeye Name: methyl 3-[(7R,8S)-8-[2-(dimethylamino)-2-oxo-ethyl]-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-7-(4-tetrahydropyran-2-yloxybutyl)-21,23-dihydro-7H-porphyrin-2-yl]propanoate CAS Name: 3-[(7R,8S)-8-[2-(dimethylamino)-2-oxoethyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-7-[4-(2-oxanyloxy)butyl]-21,23-dihydro-7H-porphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(7R,8S)-8-[2-(dimethylamino)-2-oxoethyl]-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-7-[4-(oxan-2-yloxy)butyl]-21,23-dihydro-7H-porphyrin-2-yl]propanoate Traditional Name: 3-[(7R,8S)-8-[2-(dimethylamino)-2-keto-ethyl]-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-7-(4-tetrahydropyran-2-yloxybutyl)-21,23-dihydro-7H-porphin-2-yl]propionic acid methyl ester Formula: C45H59N5O7 MolecularWeight: 781.97926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C(C3(C)CC(=O)N(C)C)CCCCOC6CCCCO6

Isomeric SMILES

CC1=CC2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)[C@@H]([C@]3(C)CC(=O)N(C)C)CCCCOC6CCCCO6

InChI

InChI=1S/C45H59N5O7/c1-27-21-30-22-40-45(4,26-41(51)50(5)6)33(13-9-11-19-56-44-14-10-12-20-57-44)39(49-40)24-36-29(3)32(16-18-43(53)55-8)38(48-36)25-37-31(15-17-42(52)54-7)28(2)35(47-37)23-34(27)46-30/h21-25,33,44,46,48H,9-20,26H2,1-8H3/t33-,44?,45-/m0/s1