methyl 3-[7,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,12,17-tetramethyl-20-phenyl-22,23-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[7,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,12,17-tetramethyl-20-phenyl-22,23-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[7,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxo-propyl)-3,8,12,17-tetramethyl-20-phenyl-22,23-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[7,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-20-phenyl-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[7,13-bis(2-chloroethyl)-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-20-phenyl-22,23-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[7,13-bis(2-chloroethyl)-18-(3-keto-3-methoxy-propyl)-3,8,12,17-tetramethyl-20-phenyl-22,23-dihydroporphin-2-yl]propionic acid methyl ester Formula: C42H44Cl2N4O4 MolecularWeight: 739.72916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)C)CCCl)C(=C4CCC(=O)OC)C)C6=CC=CC=C6)C(=C3C)CCC(=O)OC)CCCl

Isomeric SMILES

CC1=C(C2=CC3=NC(=C(C4=NC(=CC5=C(C(=C(N5)C=C1N2)C)CCCl)C(=C4CCC(=O)OC)C)C6=CC=CC=C6)C(=C3C)CCC(=O)OC)CCCl

InChI

InChI=1S/C42H44Cl2N4O4/c1-23-28(16-18-43)36-21-34-25(3)30(12-14-38(49)51-5)41(47-34)40(27-10-8-7-9-11-27)42-31(13-15-39(50)52-6)26(4)35(48-42)22-37-29(17-19-44)24(2)33(46-37)20-32(23)45-36/h7-11,20-22,45-46H,12-19H2,1-6H3