ethyl 3-pyren-4-ylpropanoate

Systemtic Name: ethyl 3-pyren-4-ylpropanoate Openeye Name: ethyl 3-pyren-4-ylpropanoate CAS Name: 3-(4-pyrenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-pyren-4-ylpropanoate Traditional Name: 3-pyren-4-ylpropionic acid ethyl ester Formula: C21H18O2 MolecularWeight: 302.36642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3

Isomeric SMILES

CCOC(=O)CCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3

InChI

InChI=1S/C21H18O2/c1-2-23-19(22)12-11-16-13-17-7-3-5-14-9-10-15-6-4-8-18(16)21(15)20(14)17/h3-10,13H,2,11-12H2,1H3