phenethyl (E)-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-enoate

Systemtic Name: phenethyl (E)-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-enoate Openeye Name: phenethyl (E)-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-enoate CAS Name: (E)-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)-1-benzopyran-6-yl]-2-propenoic acid phenethyl ester IUPAC Name: phenethyl (E)-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]prop-2-enoate Traditional Name: (E)-3-[2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]acrylic acid phenethyl ester Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C2C(=CC(=C1)C=CC(=O)OCCC3=CC=CC=C3)C=CC(O2)(C)C)C

Isomeric SMILES

CC(=CCC1=C2C(=CC(=C1)/C=C/C(=O)OCCC3=CC=CC=C3)C=CC(O2)(C)C)C

InChI

InChI=1S/C27H30O3/c1-20(2)10-12-23-18-22(19-24-14-16-27(3,4)30-26(23)24)11-13-25(28)29-17-15-21-8-6-5-7-9-21/h5-11,13-14,16,18-19H,12,15,17H2,1-4H3/b13-11+