ethyl 1-[(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[4-(coumaran-5-ylmethyl)piperazino]propanoyl]isonipecotic acid ethyl ester Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C24H35N3O4/c1-3-30-24(29)20-6-9-27(10-7-20)23(28)18(2)26-13-11-25(12-14-26)17-19-4-5-22-21(16-19)8-15-31-22/h4-5,16,18,20H,3,6-15,17H2,1-2H3/t18-/m0/s1