4-(1,3-benzodioxol-5-yl)-2-methyl-2-pyrrolidin-1-yl-butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-pyrrolidin-1-yl-butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-pyrrolidin-1-yl-butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-(1-pyrrolidinyl)butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-methyl-2-pyrrolidino-butyric acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)(C(=O)O)N3CCCC3

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)(C(=O)O)N3CCCC3

InChI

InChI=1S/C16H21NO4/c1-16(15(18)19,17-8-2-3-9-17)7-6-12-4-5-13-14(10-12)21-11-20-13/h4-5,10H,2-3,6-9,11H2,1H3,(H,18,19)