4-methyl-7-(2-oxidanylidenecyclohexyl)oxy-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4-methyl-7-(2-oxidanylidenecyclohexyl)oxy-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4-methyl-7-(2-oxocyclohexoxy)chromen-2-one CAS Name: 4-methyl-7-(2-oxocyclohexyl)oxy-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4-methyl-7-(2-oxocyclohexyl)oxychromen-2-one Traditional Name: 3-benzyl-7-(2-ketocyclohexoxy)-4-methyl-coumarin Formula: C23H22O4 MolecularWeight: 362.41838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC3CCCCC3=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC3CCCCC3=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H22O4/c1-15-18-12-11-17(26-21-10-6-5-9-20(21)24)14-22(18)27-23(25)19(15)13-16-7-3-2-4-8-16/h2-4,7-8,11-12,14,21H,5-6,9-10,13H2,1H3