N-(4-butoxyphenyl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; ethanedioic acid

Systemtic Name: N-(4-butoxyphenyl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; ethanedioic acid Openeye Name: N-(4-butoxyphenyl)-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]propanamide; oxalic acid CAS Name: N-(4-butoxyphenyl)-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]propanamide; oxalic acid IUPAC Name: N-(4-butoxyphenyl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; oxalic acid Traditional Name: N-(4-butoxyphenyl)-N-[1-methyl-2-(4-phenethylpiperazino)ethyl]propionamide; oxalic acid Formula: C32H45N3O10 MolecularWeight: 631.7138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O2.2C2H2O4/c1-4-6-22-33-27-14-12-26(13-15-27)31(28(32)5-2)24(3)23-30-20-18-29(19-21-30)17-16-25-10-8-7-9-11-25;2*3-1(4)2(5)6/h7-15,24H,4-6,16-23H2,1-3H3;2*(H,3,4)(H,5,6)