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

Systemtic Name: methyl 3-[7,18-bis(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[7,18-bis(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[7,18-bis(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[7,18-bis(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[7,18-bis(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-22,23-dihydroporphin-2-yl]propionic acid methyl ester Formula: C36H40N4O6 MolecularWeight: 624.726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)CCC(=O)OC)C

Isomeric SMILES

CC1=CC2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)CCC(=O)OC)C

InChI

InChI=1S/C36H40N4O6/c1-19-14-23-15-28-20(2)24(8-11-34(41)44-5)31(38-28)17-30-22(4)26(10-13-36(43)46-7)33(40-30)18-32-25(9-12-35(42)45-6)21(3)29(39-32)16-27(19)37-23/h14-18,37-38H,8-13H2,1-7H3