3-butyl-4-methyl-7-phenylmethoxy-chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)OC1=O)C

Isomeric SMILES

CCCCC1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)OC1=O)C

InChI

InChI=1S/C21H22O3/c1-3-4-10-19-15(2)18-12-11-17(13-20(18)24-21(19)22)23-14-16-8-6-5-7-9-16/h5-9,11-13H,3-4,10,14H2,1-2H3