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

Systemtic Name: methyl 3-[7,13-bis(ethenyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,8,12,17-tetramethyl-7,13-divinyl-22,23-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[7,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[7,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[18-(3-keto-3-methoxy-propyl)-3,8,12,17-tetramethyl-7,13-divinyl-22,23-dihydroporphin-2-yl]propionic acid methyl ester Formula: C36H38N4O4 MolecularWeight: 590.71132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C)C=C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C=C

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C)C=C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C=C

InChI

InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-20(4)24(10-2)32(38-28)17-30-22(6)26(12-14-36(42)44-8)34(40-30)18-33-25(11-13-35(41)43-7)21(5)29(39-33)16-31(23)37-27/h9-10,15-18,37-38H,1-2,11-14H2,3-8H3