6-chloranyl-8-(dimethylaminomethyl)-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-8-(dimethylaminomethyl)-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-6-chloro-8-(dimethylaminomethyl)-7-hydroxy-4-methyl-chromen-2-one CAS Name: 6-chloro-8-(dimethylaminomethyl)-7-hydroxy-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-chloro-8-(dimethylaminomethyl)-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-benzyl-6-chloro-8-(dimethylaminomethyl)-7-hydroxy-4-methyl-coumarin Formula: C20H20ClNO3 MolecularWeight: 357.8307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CN(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CN(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO3/c1-12-14-10-17(21)18(23)16(11-22(2)3)19(14)25-20(24)15(12)9-13-7-5-4-6-8-13/h4-8,10,23H,9,11H2,1-3H3