ethanedioic acid; 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole

Systemtic Name: ethanedioic acid; 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole Openeye Name: oxalic acid; 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole CAS Name: oxalic acid; 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole IUPAC Name: oxalic acid; 5-[1-(2-phenylphenoxy)ethyl]-3,4-dihydro-2H-pyrrole Traditional Name: oxalic acid; 2-[1-(2-phenylphenoxy)ethyl]-1-pyrroline Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NCCC1)OC2=CC=CC=C2C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=NCCC1)OC2=CC=CC=C2C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H19NO.C2H2O4/c1-14(17-11-7-13-19-17)20-18-12-6-5-10-16(18)15-8-3-2-4-9-15;3-1(4)2(5)6/h2-6,8-10,12,14H,7,11,13H2,1H3;(H,3,4)(H,5,6)