ethanedioic acid; [3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-thiophen-3-yl-methanone

Systemtic Name: ethanedioic acid; [3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-thiophen-3-yl-methanone Openeye Name: [3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-(3-thienyl)methanone; oxalic acid CAS Name: [3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]-(3-thiophenyl)methanone; oxalic acid IUPAC Name: [3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]-thiophen-3-ylmethanone; oxalic acid Traditional Name: [3-methoxy-4-(pyrrolidinomethyl)phenyl]-(3-thienyl)methanone; oxalic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C2=CSC=C2)CN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C2=CSC=C2)CN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19NO2S.C2H2O4/c1-20-16-10-13(17(19)15-6-9-21-12-15)4-5-14(16)11-18-7-2-3-8-18;3-1(4)2(5)6/h4-6,9-10,12H,2-3,7-8,11H2,1H3;(H,3,4)(H,5,6)