ethanedioic acid; 2-phenethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine

Systemtic Name: ethanedioic acid; 2-phenethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine Openeye Name: oxalic acid; 2-phenethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine CAS Name: oxalic acid; 2-phenethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine IUPAC Name: oxalic acid; 2-phenethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine Traditional Name: oxalic acid; 2-phenethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1CC2=CNC3=C2C=CC=N3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1COC(CN1CC2=CNC3=C2C=CC=N3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23N3O.C2H2O4/c1-2-5-16(6-3-1)8-9-18-15-23(11-12-24-18)14-17-13-22-20-19(17)7-4-10-21-20;3-1(4)2(5)6/h1-7,10,13,18H,8-9,11-12,14-15H2,(H,21,22);(H,3,4)(H,5,6)