methyl 3-[7,13-diethyl-10-(4-hexoxyphenyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,12,17-tetramethyl-12,13-bis(oxidanyl)-21,24-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[7,13-diethyl-10-(4-hexoxyphenyl)-18-(3-methoxy-3-oxidanylidene-propyl)-3,8,12,17-tetramethyl-12,13-bis(oxidanyl)-21,24-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[7,13-diethyl-10-(4-hexoxyphenyl)-12,13-dihydroxy-18-(3-methoxy-3-oxo-propyl)-3,8,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[7,13-diethyl-10-(4-hexoxyphenyl)-12,13-dihydroxy-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[7,13-diethyl-10-(4-hexoxyphenyl)-12,13-dihydroxy-18-(3-methoxy-3-oxopropyl)-3,8,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[7,13-diethyl-10-(4-hexoxyphenyl)-12,13-dihydroxy-18-(3-keto-3-methoxy-propyl)-3,8,12,17-tetramethyl-21,24-dihydroporphin-2-yl]propionic acid methyl ester Formula: C48H60N4O7 MolecularWeight: 805.0126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=C(C(=C(N5)C=C6C(C(C2=N6)(C)O)(CC)O)C)CCC(=O)OC)N4)CCC(=O)OC)C)CC)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=C(C(=C(N5)C=C6C(C(C2=N6)(C)O)(CC)O)C)CCC(=O)OC)N4)CCC(=O)OC)C)CC)C

InChI

InChI=1S/C48H60N4O7/c1-10-13-14-15-24-59-32-18-16-31(17-19-32)44-45-30(6)33(11-2)38(51-45)25-36-28(4)34(20-22-42(53)57-8)39(49-36)26-40-35(21-23-43(54)58-9)29(5)37(50-40)27-41-48(56,12-3)47(7,55)46(44)52-41/h16-19,25-27,49-50,55-56H,10-15,20-24H2,1-9H3