O1-tert-butyl O3-(phenylmethyl) 1-cyclopropylpyrrolidin-1-ium-1,3-dicarboxylate; methanamine

Systemtic Name: O1-tert-butyl O3-(phenylmethyl) 1-cyclopropylpyrrolidin-1-ium-1,3-dicarboxylate; methanamine Openeye Name: O3-benzyl O1-tert-butyl 1-cyclopropylpyrrolidin-1-ium-1,3-dicarboxylate; methanamine CAS Name: 1-cyclopropylpyrrolidin-1-ium-1,3-dicarboxylic acid O1-tert-butyl ester O3-(phenylmethyl) ester; methanamine IUPAC Name: 3-O-benzyl 1-O-tert-butyl 1-cyclopropylpyrrolidin-1-ium-1,3-dicarboxylate; methanamine Traditional Name: 1-cyclopropylpyrrolidin-1-ium-1,3-dicarboxylic acid O3-benzyl ester O1-tert-butyl ester; methylamine Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(C1)C(=O)OCC2=CC=CC=C2)C3CC3.CN

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(C1)C(=O)OCC2=CC=CC=C2)C3CC3.CN

InChI

InChI=1S/C20H28NO4.CH5N/c1-20(2,3)25-19(23)21(17-9-10-17)12-11-16(13-21)18(22)24-14-15-7-5-4-6-8-15;1-2/h4-8,16-17H,9-14H2,1-3H3;2H2,1H3/q+1;