prop-2-enyl 2-cyano-3-pyren-1-yl-2-(pyren-1-ylmethyl)propanoate

Systemtic Name: prop-2-enyl 2-cyano-3-pyren-1-yl-2-(pyren-1-ylmethyl)propanoate Openeye Name: allyl 2-cyano-3-pyren-1-yl-2-(pyren-1-ylmethyl)propanoate CAS Name: 2-cyano-3-(1-pyrenyl)-2-(1-pyrenylmethyl)propanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-cyano-3-pyren-1-yl-2-(pyren-1-ylmethyl)propanoate Traditional Name: 2-cyano-3-pyren-1-yl-2-(pyren-1-ylmethyl)propionic acid allyl ester Formula: C40H27NO2 MolecularWeight: 553.64788

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)(CC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C#N

Isomeric SMILES

C=CCOC(=O)C(CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)(CC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C#N

InChI

InChI=1S/C40H27NO2/c1-2-21-43-39(42)40(24-41,22-31-15-13-29-11-9-25-5-3-7-27-17-19-33(31)37(29)35(25)27)23-32-16-14-30-12-10-26-6-4-8-28-18-20-34(32)38(30)36(26)28/h2-20H,1,21-23H2