N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]-piperonylamide Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)OCO3)N4CCCC4

InChI

InChI=1S/C21H24N2O4/c1-25-17-7-4-15(5-8-17)18(23-10-2-3-11-23)13-22-21(24)16-6-9-19-20(12-16)27-14-26-19/h4-9,12,18H,2-3,10-11,13-14H2,1H3,(H,22,24)/t18-/m1/s1