(4-methoxyphenyl) 4-pyren-1-ylbutanoate

Systemtic Name: (4-methoxyphenyl) 4-pyren-1-ylbutanoate Openeye Name: (4-methoxyphenyl) 4-pyren-1-ylbutanoate CAS Name: 4-(1-pyrenyl)butanoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-pyren-1-ylbutanoate Traditional Name: 4-pyren-1-ylbutyric acid (4-methoxyphenyl) ester Formula: C27H22O3 MolecularWeight: 394.46178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C27H22O3/c1-29-22-13-15-23(16-14-22)30-25(28)7-3-4-18-8-9-21-11-10-19-5-2-6-20-12-17-24(18)27(21)26(19)20/h2,5-6,8-17H,3-4,7H2,1H3