3-[phenyl-[(phenylmethyl)amino]methyl]-3H-2-benzofuran-1-one chloride

Systemtic Name: 3-[phenyl-[(phenylmethyl)amino]methyl]-3H-2-benzofuran-1-one chloride Openeye Name: 3-[(benzylamino)-phenyl-methyl]-3H-isobenzofuran-1-one chloride CAS Name: 3-[phenyl-[(phenylmethyl)amino]methyl]-3H-isobenzofuran-1-one chloride IUPAC Name: 3-[(benzylamino)-phenylmethyl]-3H-2-benzofuran-1-one chloride Traditional Name: 3-[(benzylamino)-phenyl-methyl]phthalide chloride Formula: C22H19ClNO2- MolecularWeight: 364.84476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C2C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(C2C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H19NO2.ClH/c24-22-19-14-8-7-13-18(19)21(25-22)20(17-11-5-2-6-12-17)23-15-16-9-3-1-4-10-16;/h1-14,20-21,23H,15H2;1H/p-1