4-butyl-8-methyl-7-phenylmethoxy-chromen-2-one

Systemtic Name: 4-butyl-8-methyl-7-phenylmethoxy-chromen-2-one Openeye Name: 7-benzyloxy-4-butyl-8-methyl-chromen-2-one CAS Name: 4-butyl-8-methyl-7-phenylmethoxy-1-benzopyran-2-one IUPAC Name: 4-butyl-8-methyl-7-phenylmethoxychromen-2-one Traditional Name: 7-benzoxy-4-butyl-8-methyl-coumarin Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=CC=CC=C3

InChI

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