ethanedioic acid; [1-(4-ethylphenyl)pyrrolidin-3-yl]methanamine

Systemtic Name: ethanedioic acid; [1-(4-ethylphenyl)pyrrolidin-3-yl]methanamine Openeye Name: [1-(4-ethylphenyl)pyrrolidin-3-yl]methanamine; oxalic acid CAS Name: [1-(4-ethylphenyl)-3-pyrrolidinyl]methanamine; oxalic acid IUPAC Name: [1-(4-ethylphenyl)pyrrolidin-3-yl]methanamine; oxalic acid Traditional Name: [1-(4-ethylphenyl)pyrrolidin-3-yl]methylamine; oxalic acid Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CCC(C2)CN.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2CCC(C2)CN.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2.C2H2O4/c1-2-11-3-5-13(6-4-11)15-8-7-12(9-14)10-15;3-1(4)2(5)6/h3-6,12H,2,7-10,14H2,1H3;(H,3,4)(H,5,6)