[3-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-1-(2-methylphenyl)-4-oxidanylidene-2-propan-2-yloxy-cyclobut-2-en-1-yl] ethanoate

Systemtic Name: [3-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-1-(2-methylphenyl)-4-oxidanylidene-2-propan-2-yloxy-cyclobut-2-en-1-yl] ethanoate Openeye Name: [3-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-2-isopropoxy-1-(o-tolyl)-4-oxo-cyclobut-2-en-1-yl] acetate CAS Name: acetic acid [3-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-1-(2-methylphenyl)-4-oxo-2-propan-2-yloxy-1-cyclobut-2-enyl] ester IUPAC Name: [3-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)-1-(2-methylphenyl)-4-oxo-2-propan-2-yloxycyclobut-2-en-1-yl] acetate Traditional Name: acetic acid [3-(10,20-diphenyl-23,24-dihydroporphin-5-yl)-2-isopropoxy-4-keto-1-(o-tolyl)cyclobut-2-en-1-yl] ester Formula: C48H38N4O4 MolecularWeight: 734.83972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(C(=C(C2=O)C3=C4C=CC(=N4)C(=C5C=CC(=CC6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=CC=C8)N5)C9=CC=CC=C9)OC(C)C)OC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2(C(=C(C2=O)C3=C4C=CC(=N4)C(=C5C=CC(=CC6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=CC=C8)N5)C9=CC=CC=C9)OC(C)C)OC(=O)C

InChI

InChI=1S/C48H38N4O4/c1-28(2)55-47-45(46(54)48(47,56-30(4)53)35-18-12-11-13-29(35)3)44-40-25-23-38(51-40)42(31-14-7-5-8-15-31)36-21-19-33(49-36)27-34-20-22-37(50-34)43(32-16-9-6-10-17-32)39-24-26-41(44)52-39/h5-28,49-50H,1-4H3