propyl 12-ethanoyl-7-ethyl-3,8,13,17-tetramethyl-18-(3-oxidanylidene-3-propoxy-propyl)-21,23-dihydroporphyrin-2-carboxylate

Systemtic Name: propyl 12-ethanoyl-7-ethyl-3,8,13,17-tetramethyl-18-(3-oxidanylidene-3-propoxy-propyl)-21,23-dihydroporphyrin-2-carboxylate Openeye Name: propyl 12-acetyl-7-ethyl-3,8,13,17-tetramethyl-18-(3-oxo-3-propoxy-propyl)-21,23-dihydroporphyrin-2-carboxylate CAS Name: 12-acetyl-7-ethyl-3,8,13,17-tetramethyl-18-(3-oxo-3-propoxypropyl)-21,23-dihydroporphyrin-2-carboxylic acid propyl ester IUPAC Name: propyl 12-acetyl-7-ethyl-3,8,13,17-tetramethyl-18-(3-oxo-3-propoxypropyl)-21,23-dihydroporphyrin-2-carboxylate Traditional Name: 12-acetyl-7-ethyl-18-(3-keto-3-propoxy-propyl)-3,8,13,17-tetramethyl-21,23-dihydroporphine-2-carboxylic acid propyl ester Formula: C38H44N4O5 MolecularWeight: 636.77976

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC1=C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)N5)C)C(=O)C)C)CC)C)C(=O)OCCC)C

Isomeric SMILES

CCCOC(=O)CCC1=C(C2=NC1=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=C2)N5)C)C(=O)C)C)CC)C)C(=O)OCCC)C

InChI

InChI=1S/C38H44N4O5/c1-9-14-46-35(44)13-12-26-21(5)27-16-29-22(6)36(24(8)43)33(41-29)18-28-20(4)25(11-3)31(39-28)17-30-23(7)37(38(45)47-15-10-2)34(42-30)19-32(26)40-27/h16-19,41-42H,9-15H2,1-8H3