dimethyl (17S,18S)-7-ethenyl-12-ethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2,20-dicarboxylate

Systemtic Name: dimethyl (17S,18S)-7-ethenyl-12-ethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2,20-dicarboxylate Openeye Name: dimethyl (17S,18S)-12-ethyl-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-7-vinyl-17,18,22,23-tetrahydroporphyrin-2,20-dicarboxylate CAS Name: (17S,18S)-7-ethenyl-12-ethyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2,20-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (17S,18S)-7-ethenyl-12-ethyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2,20-dicarboxylate Traditional Name: (17S,18S)-12-ethyl-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-7-vinyl-17,18,22,23-tetrahydroporphine-2,20-dicarboxylic acid dimethyl ester Formula: C36H40N4O6 MolecularWeight: 624.726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=CC4=NC(=C(C5=NC(=CC(=C1C)N2)C(C5CCC(=O)OC)C)C(=O)OC)C(=C4C)C(=O)OC)N3)C=C)C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=CC4=NC(=C(C5=NC(=CC(=C1C)N2)[C@H]([C@@H]5CCC(=O)OC)C)C(=O)OC)C(=C4C)C(=O)OC)N3)C=C)C

InChI

InChI=1S/C36H40N4O6/c1-10-21-17(3)24-14-26-19(5)23(12-13-30(41)44-7)33(39-26)32(36(43)46-9)34-31(35(42)45-8)20(6)27(40-34)16-29-22(11-2)18(4)25(38-29)15-28(21)37-24/h11,14-16,19,23,37-38H,2,10,12-13H2,1,3-9H3/t19-,23-/m0/s1