perylen-2-ylmethyl 2-cyano-2-(pyren-2-ylmethyl)pent-4-enoate

Systemtic Name: perylen-2-ylmethyl 2-cyano-2-(pyren-2-ylmethyl)pent-4-enoate Openeye Name: perylen-2-ylmethyl 2-cyano-2-(pyren-2-ylmethyl)pent-4-enoate CAS Name: 2-cyano-2-(2-pyrenylmethyl)-4-pentenoic acid 2-perylenylmethyl ester IUPAC Name: perylen-2-ylmethyl 2-cyano-2-(pyren-2-ylmethyl)pent-4-enoate Traditional Name: 2-cyano-2-(pyren-2-ylmethyl)pent-4-enoic acid perylen-2-ylmethyl ester Formula: C44H29NO2 MolecularWeight: 603.70656

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)(C#N)C(=O)OCC5=CC6=C7C(=C5)C=CC=C7C8=CC=CC9=C8C6=CC=C9

Isomeric SMILES

C=CCC(CC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)(C#N)C(=O)OCC5=CC6=C7C(=C5)C=CC=C7C8=CC=CC9=C8C6=CC=C9

InChI

InChI=1S/C44H29NO2/c1-2-19-44(26-45,24-27-20-33-17-15-30-7-3-8-31-16-18-34(21-27)40(33)39(30)31)43(46)47-25-28-22-32-11-6-13-36-35-12-4-9-29-10-5-14-37(41(29)35)38(23-28)42(32)36/h2-18,20-23H,1,19,24-25H2