4-butoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]aniline; ethanedioic acid

Systemtic Name: 4-butoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]aniline; ethanedioic acid Openeye Name: 4-butoxy-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]aniline; oxalic acid CAS Name: 4-butoxy-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]aniline; oxalic acid IUPAC Name: 4-butoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]aniline; oxalic acid Traditional Name: (4-butoxyphenyl)-[1-methyl-2-(4-phenethylpiperazino)ethyl]amine; oxalic acid Formula: C29H41N3O9 MolecularWeight: 575.65054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(C)CN2CCN(CC2)CCC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(C)CN2CCN(CC2)CCC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H37N3O.2C2H2O4/c1-3-4-20-29-25-12-10-24(11-13-25)26-22(2)21-28-18-16-27(17-19-28)15-14-23-8-6-5-7-9-23;2*3-1(4)2(5)6/h5-13,22,26H,3-4,14-21H2,1-2H3;2*(H,3,4)(H,5,6)