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

Systemtic Name: 6-chloranyl-8-(diethylaminomethyl)-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-6-chloro-8-(diethylaminomethyl)-7-hydroxy-4-methyl-chromen-2-one CAS Name: 6-chloro-8-(diethylaminomethyl)-7-hydroxy-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-chloro-8-(diethylaminomethyl)-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-benzyl-6-chloro-8-(diethylaminomethyl)-7-hydroxy-4-methyl-coumarin Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C2C(=CC(=C1O)Cl)C(=C(C(=O)O2)CC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)CC1=C2C(=CC(=C1O)Cl)C(=C(C(=O)O2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H24ClNO3/c1-4-24(5-2)13-18-20(25)19(23)12-16-14(3)17(22(26)27-21(16)18)11-15-9-7-6-8-10-15/h6-10,12,25H,4-5,11,13H2,1-3H3