methyl 3-[12-ethenyl-7-(hydroxymethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[12-ethenyl-7-(hydroxymethyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[7-(hydroxymethyl)-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-12-vinyl-21,23-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[12-ethenyl-7-(hydroxymethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[12-ethenyl-7-(hydroxymethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-7-methylol-12-vinyl-21,23-dihydroporphin-2-yl]propionic acid methyl ester Formula: C35H38N4O5 MolecularWeight: 594.70002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C)CO)C=C

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C)CO)C=C

InChI

InChI=1S/C35H38N4O5/c1-8-22-18(2)26-13-27-19(3)23(9-11-34(41)43-6)31(37-27)16-32-24(10-12-35(42)44-7)20(4)28(38-32)15-33-25(17-40)21(5)29(39-33)14-30(22)36-26/h8,13-16,36,38,40H,1,9-12,17H2,2-7H3