4-methyl-7-phenacyloxy-3-propyl-chromen-2-one

Systemtic Name: 4-methyl-7-phenacyloxy-3-propyl-chromen-2-one Openeye Name: 4-methyl-7-phenacyloxy-3-propyl-chromen-2-one CAS Name: 4-methyl-7-phenacyloxy-3-propyl-1-benzopyran-2-one IUPAC Name: 4-methyl-7-phenacyloxy-3-propylchromen-2-one Traditional Name: 4-methyl-7-phenacyloxy-3-propyl-coumarin Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C(C=C2)OCC(=O)C3=CC=CC=C3)OC1=O)C

Isomeric SMILES

CCCC1=C(C2=C(C=C(C=C2)OCC(=O)C3=CC=CC=C3)OC1=O)C

InChI

InChI=1S/C21H20O4/c1-3-7-18-14(2)17-11-10-16(12-20(17)25-21(18)23)24-13-19(22)15-8-5-4-6-9-15/h4-6,8-12H,3,7,13H2,1-2H3