methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylate hydrochloride

Systemtic Name: methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylate hydrochloride Openeye Name: methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-isobenzofuran-1-carboxylate hydrochloride CAS Name: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-1-isobenzofurancarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylate hydrochloride Traditional Name: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-phthalan-1-carboxylic acid methyl ester hydrochloride Formula: C17H26ClNO3 MolecularWeight: 327.84624

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C(=O)OC)C.Cl

Isomeric SMILES

CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C(=O)OC)C.Cl

InChI

InChI=1S/C17H25NO3.ClH/c1-16(2)13-9-6-7-10-14(13)17(21-16,15(19)20-5)11-8-12-18(3)4;/h6-7,9-10H,8,11-12H2,1-5H3;1H