6-chloranyl-8-[(2-methoxyethylamino)methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one hydrochloride

Systemtic Name: 6-chloranyl-8-[(2-methoxyethylamino)methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one hydrochloride Openeye Name: 3-benzyl-6-chloro-7-hydroxy-8-[(2-methoxyethylamino)methyl]-4-methyl-chromen-2-one hydrochloride CAS Name: 6-chloro-7-hydroxy-8-[(2-methoxyethylamino)methyl]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 3-benzyl-6-chloro-7-hydroxy-8-[(2-methoxyethylamino)methyl]-4-methylchromen-2-one hydrochloride Traditional Name: 3-benzyl-6-chloro-7-hydroxy-8-[(2-methoxyethylamino)methyl]-4-methyl-coumarin hydrochloride Formula: C21H23Cl2NO4 MolecularWeight: 424.31762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO4.ClH/c1-13-15-11-18(22)19(24)17(12-23-8-9-26-2)20(15)27-21(25)16(13)10-14-6-4-3-5-7-14;/h3-7,11,23-24H,8-10,12H2,1-2H3;1H