ethyl 4-pyren-1-ylbutanoate

Systemtic Name: ethyl 4-pyren-1-ylbutanoate Openeye Name: ethyl 4-pyren-1-ylbutanoate CAS Name: 4-(1-pyrenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-pyren-1-ylbutanoate Traditional Name: 4-pyren-1-ylbutyric acid ethyl ester Formula: C22H20O2 MolecularWeight: 316.393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCOC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C22H20O2/c1-2-24-20(23)8-4-5-15-9-10-18-12-11-16-6-3-7-17-13-14-19(15)22(18)21(16)17/h3,6-7,9-14H,2,4-5,8H2,1H3