(7-oxidanylidene-3-propan-2-yl-cyclohepta-1,3,5-trien-1-yl) (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (7-oxidanylidene-3-propan-2-yl-cyclohepta-1,3,5-trien-1-yl) (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (3-isopropyl-7-oxo-cyclohepta-1,3,5-trien-1-yl) (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid (7-oxo-3-propan-2-yl-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (7-oxo-3-propan-2-ylcyclohepta-1,3,5-trien-1-yl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid (3-isopropyl-7-keto-cyclohepta-1,3,5-trien-1-yl) ester Formula: C20H20O5 MolecularWeight: 340.3698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=O)C(=C1)OC(=O)C=CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC(C)C1=CC=CC(=O)C(=C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C20H20O5/c1-13(2)15-5-4-6-16(21)19(12-15)25-20(23)10-8-14-7-9-17(22)18(11-14)24-3/h4-13,22H,1-3H3/b10-8+