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

Systemtic Name: methyl (17S,18S)-12-ethenyl-7-ethyl-20-(2-methoxy-2-oxidanylidene-ethanoyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylate Openeye Name: methyl (17S,18S)-7-ethyl-20-(2-methoxy-2-oxo-acetyl)-18-(3-methoxy-3-oxo-propyl)-3,8,13,17-tetramethyl-12-vinyl-17,18,22,23-tetrahydroporphyrin-2-carboxylate CAS Name: (17S,18S)-12-ethenyl-7-ethyl-20-(2-methoxy-1,2-dioxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid methyl ester IUPAC Name: methyl (17S,18S)-12-ethenyl-7-ethyl-20-(2-methoxy-2-oxoacetyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylate Traditional Name: (17S,18S)-7-ethyl-18-(3-keto-3-methoxy-propyl)-20-methoxalyl-3,8,13,17-tetramethyl-12-vinyl-17,18,22,23-tetrahydroporphine-2-carboxylic acid methyl ester Formula: C37H40N4O7 MolecularWeight: 652.7361

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=N3)C(=C4C(C(C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCC(=O)OC)C(=O)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=CC(=C1C)N2)N5)C=C)C)C)CCC(=O)OC)C(=O)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C37H40N4O7/c1-10-21-17(3)24-14-26-19(5)23(12-13-30(42)46-7)33(40-26)32(35(43)37(45)48-9)34-31(36(44)47-8)20(6)27(41-34)16-29-22(11-2)18(4)25(39-29)15-28(21)38-24/h10,14-16,19,23,38-39H,1,11-13H2,2-9H3/t19-,23-/m0/s1