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

Systemtic Name: ethyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylate Openeye Name: ethyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-isobenzofuran-1-carboxylate CAS Name: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-1-isobenzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylate Traditional Name: 1-[3-(dimethylamino)propyl]-3,3-dimethyl-phthalan-1-carboxylic acid ethyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC=CC=C2C(O1)(C)C)CCCN(C)C

Isomeric SMILES

CCOC(=O)C1(C2=CC=CC=C2C(O1)(C)C)CCCN(C)C

InChI

InChI=1S/C18H27NO3/c1-6-21-16(20)18(12-9-13-19(4)5)15-11-8-7-10-14(15)17(2,3)22-18/h7-8,10-11H,6,9,12-13H2,1-5H3