[4-[[4-[[4-[(4-prop-2-enoyloxyphenyl)-pyren-1-yl-amino]phenyl]methoxymethyl]phenyl]-pyren-1-yl-amino]phenyl] prop-2-enoate

Systemtic Name: [4-[[4-[[4-[(4-prop-2-enoyloxyphenyl)-pyren-1-yl-amino]phenyl]methoxymethyl]phenyl]-pyren-1-yl-amino]phenyl] prop-2-enoate Openeye Name: [4-[4-[[4-(4-prop-2-enoyloxy-N-pyren-1-yl-anilino)phenyl]methoxymethyl]-N-pyren-1-yl-anilino]phenyl] prop-2-enoate CAS Name: 2-propenoic acid [4-[4-[[4-[4-(1-oxoprop-2-enoxy)-N-(1-pyrenyl)anilino]phenyl]methoxymethyl]-N-(1-pyrenyl)anilino]phenyl] ester IUPAC Name: [4-[4-[[4-(4-prop-2-enoyloxy-N-pyren-1-ylanilino)phenyl]methoxymethyl]-N-pyren-1-ylanilino]phenyl] prop-2-enoate Traditional Name: acrylic acid [4-[4-[[4-(4-acryloyloxy-N-pyren-1-yl-anilino)benzyl]oxymethyl]-N-pyren-1-yl-anilino]phenyl] ester Formula: C64H44N2O5 MolecularWeight: 921.04456

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC1=CC=C(C=C1)N(C2=CC=C(C=C2)COCC3=CC=C(C=C3)N(C4=CC=C(C=C4)OC(=O)C=C)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=C1C=CC2=CC=CC3=C2C1=C(C=C3)C=C9

Isomeric SMILES

C=CC(=O)OC1=CC=C(C=C1)N(C2=CC=C(C=C2)COCC3=CC=C(C=C3)N(C4=CC=C(C=C4)OC(=O)C=C)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=C1C=CC2=CC=CC3=C2C1=C(C=C3)C=C9

InChI

InChI=1S/C64H44N2O5/c1-3-59(67)70-53-31-27-51(28-32-53)65(57-37-21-47-17-15-43-7-5-9-45-19-35-55(57)63(47)61(43)45)49-23-11-41(12-24-49)39-69-40-42-13-25-50(26-14-42)66(52-29-33-54(34-30-52)71-60(68)4-2)58-38-22-48-18-16-44-8-6-10-46-20-36-56(58)64(48)62(44)46/h3-38H,1-2,39-40H2