(4-ethyl-1H-isochromen-3-yl) benzoate

Systemtic Name: (4-ethyl-1H-isochromen-3-yl) benzoate Openeye Name: (4-ethyl-1H-isochromen-3-yl) benzoate CAS Name: benzoic acid (4-ethyl-1H-2-benzopyran-3-yl) ester IUPAC Name: (4-ethyl-1H-isochromen-3-yl) benzoate Traditional Name: benzoic acid (4-ethyl-1H-isochromen-3-yl) ester Formula: C18H16O3 MolecularWeight: 280.31784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OCC2=CC=CC=C21)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(OCC2=CC=CC=C21)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16O3/c1-2-15-16-11-7-6-10-14(16)12-20-18(15)21-17(19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3