(4-ethoxycyclopent-2-en-1-yl) 4-pyren-2-ylbutanoate

Systemtic Name: (4-ethoxycyclopent-2-en-1-yl) 4-pyren-2-ylbutanoate Openeye Name: (4-ethoxycyclopent-2-en-1-yl) 4-pyren-2-ylbutanoate CAS Name: 4-(2-pyrenyl)butanoic acid (4-ethoxy-1-cyclopent-2-enyl) ester IUPAC Name: (4-ethoxycyclopent-2-en-1-yl) 4-pyren-2-ylbutanoate Traditional Name: 4-pyren-2-ylbutyric acid (4-ethoxycyclopent-2-en-1-yl) ester Formula: C27H26O3 MolecularWeight: 398.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(C=C1)OC(=O)CCCC2=CC3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

Isomeric SMILES

CCOC1CC(C=C1)OC(=O)CCCC2=CC3=C4C(=C2)C=CC5=C4C(=CC=C5)C=C3

InChI

InChI=1S/C27H26O3/c1-2-29-23-13-14-24(17-23)30-25(28)8-3-5-18-15-21-11-9-19-6-4-7-20-10-12-22(16-18)27(21)26(19)20/h4,6-7,9-16,23-24H,2-3,5,8,17H2,1H3