(E)-3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[(2R)-2-(4-phenylbutyl)-2,3-dihydrobenzofuran-4-yl]prop-2-enoic acid CAS Name: (E)-3-[(2R)-2-(4-phenylbutyl)-2,3-dihydrobenzofuran-4-yl]-2-propenoic acid IUPAC Name: (E)-3-[(2R)-2-(4-phenylbutyl)-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[(2R)-2-(4-phenylbutyl)coumaran-4-yl]acrylic acid Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC(=C21)C=CC(=O)O)CCCCC3=CC=CC=C3

Isomeric SMILES

C1[C@H](OC2=CC=CC(=C21)/C=C/C(=O)O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C21H22O3/c22-21(23)14-13-17-10-6-12-20-19(17)15-18(24-20)11-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10,12-14,18H,4-5,9,11,15H2,(H,22,23)/b14-13+/t18-/m1/s1