4-methyl-3-(2-methylpropyl)-7-phenacyloxy-chromen-2-one

Systemtic Name: 4-methyl-3-(2-methylpropyl)-7-phenacyloxy-chromen-2-one Openeye Name: 3-isobutyl-4-methyl-7-phenacyloxy-chromen-2-one CAS Name: 4-methyl-3-(2-methylpropyl)-7-phenacyloxy-1-benzopyran-2-one IUPAC Name: 4-methyl-3-(2-methylpropyl)-7-phenacyloxychromen-2-one Traditional Name: 3-isobutyl-4-methyl-7-phenacyloxy-coumarin Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C22H22O4/c1-14(2)11-19-15(3)18-10-9-17(12-21(18)26-22(19)24)25-13-20(23)16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3