ethanedioic acid; N-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-N-phenethyl-aniline

Systemtic Name: ethanedioic acid; N-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-N-phenethyl-aniline Openeye Name: N-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)-N-phenethyl-aniline; oxalic acid CAS Name: N-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-N-phenethylaniline; oxalic acid IUPAC Name: N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-phenethylaniline; oxalic acid Traditional Name: (3-isobutoxy-2-pyrrolidino-propyl)-phenethyl-phenyl-amine; oxalic acid Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN(CCC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)COCC(CN(CCC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H36N2O.C2H2O4/c1-22(2)20-28-21-25(26-16-9-10-17-26)19-27(24-13-7-4-8-14-24)18-15-23-11-5-3-6-12-23;3-1(4)2(5)6/h3-8,11-14,22,25H,9-10,15-21H2,1-2H3;(H,3,4)(H,5,6)