methyl 3-[12,17-bis(1-cyclohexyloxyethyl)-7-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[12,17-bis(1-cyclohexyloxyethyl)-7-(3-methoxy-3-oxidanylidene-propyl)-3,8,13,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[12,17-bis[1-(cyclohexoxy)ethyl]-7-(3-methoxy-3-oxo-propyl)-3,8,13,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[12,17-bis(1-cyclohexyloxyethyl)-7-(3-methoxy-3-oxopropyl)-3,8,13,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[12,17-bis(1-cyclohexyloxyethyl)-7-(3-methoxy-3-oxopropyl)-3,8,13,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[12,17-bis[1-(cyclohexoxy)ethyl]-7-(3-keto-3-methoxy-propyl)-3,8,13,18-tetramethyl-23,24-dihydroporphin-2-yl]propionic acid methyl ester Formula: C48H62N4O6 MolecularWeight: 791.02908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OC6CCCCC6)C)C(=C4C)CCC(=O)OC)C(=C3C)CCC(=O)OC)C(C)OC7CCCCC7

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OC6CCCCC6)C)C(=C4C)CCC(=O)OC)C(=C3C)CCC(=O)OC)C(C)OC7CCCCC7

InChI

InChI=1S/C48H62N4O6/c1-27-35(19-21-45(53)55-7)42-24-39-29(3)47(31(5)57-33-15-11-9-12-16-33)44(51-39)26-40-30(4)48(32(6)58-34-17-13-10-14-18-34)43(52-40)25-38-28(2)36(20-22-46(54)56-8)41(50-38)23-37(27)49-42/h23-26,31-34,51-52H,9-22H2,1-8H3