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

Systemtic Name: 4-methyl-3-pentyl-7-phenylmethoxy-chromen-2-one Openeye Name: 7-benzyloxy-4-methyl-3-pentyl-chromen-2-one CAS Name: 4-methyl-3-pentyl-7-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 4-methyl-3-pentyl-7-phenylmethoxychromen-2-one Traditional Name: 3-amyl-7-benzoxy-4-methyl-coumarin Formula: C22H24O3 MolecularWeight: 336.42416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)OC1=O)C

Isomeric SMILES

CCCCCC1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)OC1=O)C

InChI

InChI=1S/C22H24O3/c1-3-4-6-11-20-16(2)19-13-12-18(14-21(19)25-22(20)23)24-15-17-9-7-5-8-10-17/h5,7-10,12-14H,3-4,6,11,15H2,1-2H3