methyl (17S,18S)-12-ethenyl-7-ethyl-20-methanoyl-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-methanoyl-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-formyl-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-formyl-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-formyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylate Traditional Name: (17S,18S)-7-ethyl-20-formyl-18-(3-keto-3-methoxy-propyl)-3,8,13,17-tetramethyl-12-vinyl-17,18,22,23-tetrahydroporphine-2-carboxylic acid methyl ester Formula: C35H38N4O5 MolecularWeight: 594.70002

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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

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

InChI

InChI=1S/C35H38N4O5/c1-9-21-17(3)25-13-27-19(5)23(11-12-31(41)43-7)33(38-27)24(16-40)34-32(35(42)44-8)20(6)28(39-34)15-30-22(10-2)18(4)26(37-30)14-29(21)36-25/h9,13-16,19,23,36-37H,1,10-12H2,2-8H3/t19-,23-/m0/s1