ethanedioic acid; 1'-phenethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]

Systemtic Name: ethanedioic acid; 1'-phenethylspiro[3H-1-benzofuran-2,3'-pyrrolidine] Openeye Name: oxalic acid; 1'-phenethylspiro[3H-benzofuran-2,3'-pyrrolidine] CAS Name: oxalic acid; 1'-phenethylspiro[3H-benzofuran-2,3'-pyrrolidine] IUPAC Name: oxalic acid; 1'-phenethylspiro[3H-1-benzofuran-2,3'-pyrrolidine] Traditional Name: oxalic acid; 1'-phenethylspiro[coumaran-2,3'-pyrrolidine] Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC12CC3=CC=CC=C3O2)CCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC12CC3=CC=CC=C3O2)CCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21NO.C2H2O4/c1-2-6-16(7-3-1)10-12-20-13-11-19(15-20)14-17-8-4-5-9-18(17)21-19;3-1(4)2(5)6/h1-9H,10-15H2;(H,3,4)(H,5,6)