(phenylmethyl) 4-[13-ethenyl-3,7,17-triethyl-15-(4-methoxyphenyl)-2,8,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl]benzoate

Systemtic Name: (phenylmethyl) 4-[13-ethenyl-3,7,17-triethyl-15-(4-methoxyphenyl)-2,8,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl]benzoate Openeye Name: benzyl 4-[3,7,13-triethyl-15-(4-methoxyphenyl)-2,8,12,18-tetramethyl-17-vinyl-23,24-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[13-ethenyl-3,7,17-triethyl-15-(4-methoxyphenyl)-2,8,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[13-ethenyl-3,7,17-triethyl-15-(4-methoxyphenyl)-2,8,12,18-tetramethyl-23,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[3,7,13-triethyl-15-(4-methoxyphenyl)-2,8,12,18-tetramethyl-17-vinyl-23,24-dihydroporphin-5-yl]benzoic acid benzyl ester Formula: C53H52N4O3 MolecularWeight: 793.00498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C(N3)C(=C4C(=C(C(=CC5=NC(=C(C1=N2)C6=CC=C(C=C6)C(=O)OCC7=CC=CC=C7)C(=C5C)CC)N4)C)C=C)C8=CC=C(C=C8)OC)CC)C)C

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C(N3)C(=C4C(=C(C(=CC5=NC(=C(C1=N2)C6=CC=C(C=C6)C(=O)OCC7=CC=CC=C7)C(=C5C)CC)N4)C)C=C)C8=CC=C(C=C8)OC)CC)C)C

InChI

InChI=1S/C53H52N4O3/c1-10-39-30(5)43-27-45-32(7)41(12-3)51(56-45)48(36-23-25-38(59-9)26-24-36)52-42(13-4)33(8)46(57-52)28-44-31(6)40(11-2)50(55-44)47(49(39)54-43)35-19-21-37(22-20-35)53(58)60-29-34-17-15-14-16-18-34/h12,14-28,56-57H,3,10-11,13,29H2,1-2,4-9H3