methyl 3-[7,13-bis(2-bromoethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[7,13-bis(2-bromoethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[7,13-bis(2-bromoethyl)-18-(3-methoxy-3-oxo-propyl)-3,8,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[7,13-bis(2-bromoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[7,13-bis(2-bromoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[7,13-bis(2-bromoethyl)-18-(3-keto-3-methoxy-propyl)-3,8,12,17-tetramethyl-21,24-dihydroporphin-2-yl]propionic acid methyl ester Formula: C36H40Br2N4O4 MolecularWeight: 752.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)CCBr)C)C)CCBr)C)CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)CCBr)C)C)CCBr)C)CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C36H40Br2N4O4/c1-19-23(7-9-35(43)45-5)33-18-34-24(8-10-36(44)46-6)20(2)30(42-34)17-32-26(12-14-38)22(4)28(40-32)15-27-21(3)25(11-13-37)31(39-27)16-29(19)41-33/h15-18,41-42H,7-14H2,1-6H3