methyl 3-[10-(dimethylaminomethyl)-8,13-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[10-(dimethylaminomethyl)-8,13-diethyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[10-(dimethylaminomethyl)-8,13-diethyl-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[10-(dimethylaminomethyl)-8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[10-(dimethylaminomethyl)-8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[10-(dimethylaminomethyl)-8,13-diethyl-18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-21,24-dihydroporphin-2-yl]propionic acid methyl ester Formula: C39H49N5O4 MolecularWeight: 651.83746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC1=C(C3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C)CC)CN(C)C)C

Isomeric SMILES

CCC1=C(C2=NC1=C(C3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)C)CCC(=O)OC)CCC(=O)OC)C)C(=C3C)CC)CN(C)C)C

InChI

InChI=1S/C39H49N5O4/c1-11-25-24(6)38-29(20-44(7)8)39-26(12-2)21(3)32(42-39)17-30-22(4)27(13-15-36(45)47-9)34(40-30)19-35-28(14-16-37(46)48-10)23(5)31(41-35)18-33(25)43-38/h17-19,40-41H,11-16,20H2,1-10H3