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

Systemtic Name: 8-[(3-methoxypropylamino)methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one hydrochloride Openeye Name: 3-benzyl-7-hydroxy-8-[(3-methoxypropylamino)methyl]-4-methyl-chromen-2-one hydrochloride CAS Name: 7-hydroxy-8-[(3-methoxypropylamino)methyl]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 3-benzyl-7-hydroxy-8-[(3-methoxypropylamino)methyl]-4-methylchromen-2-one hydrochloride Traditional Name: 3-benzyl-7-hydroxy-8-[(3-methoxypropylamino)methyl]-4-methyl-coumarin hydrochloride Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CNCCCOC)O)CC3=CC=CC=C3.Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CNCCCOC)O)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H25NO4.ClH/c1-15-17-9-10-20(24)19(14-23-11-6-12-26-2)21(17)27-22(25)18(15)13-16-7-4-3-5-8-16;/h3-5,7-10,23-24H,6,11-14H2,1-2H3;1H