methyl 4-[(E)-2-(3,3-dimethyl-2H-1-benzofuran-5-yl)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-2-(3,3-dimethyl-2H-1-benzofuran-5-yl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-2-(3,3-dimethyl-2H-benzofuran-5-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(3,3-dimethyl-2H-benzofuran-5-yl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-(3,3-dimethyl-2H-1-benzofuran-5-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(3,3-dimethylcoumaran-5-yl)prop-1-enyl]benzoic acid methyl ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)OC)C2=CC3=C(C=C2)OCC3(C)C

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)C(=O)OC)/C2=CC3=C(C=C2)OCC3(C)C

InChI

InChI=1S/C21H22O3/c1-14(11-15-5-7-16(8-6-15)20(22)23-4)17-9-10-19-18(12-17)21(2,3)13-24-19/h5-12H,13H2,1-4H3/b14-11+