methyl 5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydrobenzofuran-3-carboxylate CAS Name: 5-[(3R,5S)-3,4,5-trimethyl-1-piperazinyl]-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-2,3-dihydro-1-benzofuran-3-carboxylate Traditional Name: 5-[(3R,5S)-3,4,5-trimethylpiperazino]coumaran-3-carboxylic acid methyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C)C)C2=CC3=C(C=C2)OCC3C(=O)OC

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1C)C)C2=CC3=C(C=C2)OCC3C(=O)OC

InChI

InChI=1S/C17H24N2O3/c1-11-8-19(9-12(2)18(11)3)13-5-6-16-14(7-13)15(10-22-16)17(20)21-4/h5-7,11-12,15H,8-10H2,1-4H3/t11-,12+,15?