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

Systemtic Name: 4-methyl-3-(2-methylpropyl)-7-phenylmethoxy-chromen-2-one Openeye Name: 7-benzyloxy-3-isobutyl-4-methyl-chromen-2-one CAS Name: 4-methyl-3-(2-methylpropyl)-7-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 4-methyl-3-(2-methylpropyl)-7-phenylmethoxychromen-2-one Traditional Name: 7-benzoxy-3-isobutyl-4-methyl-coumarin Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C21H22O3/c1-14(2)11-19-15(3)18-10-9-17(12-20(18)24-21(19)22)23-13-16-7-5-4-6-8-16/h4-10,12,14H,11,13H2,1-3H3