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

Systemtic Name: ethanedioic acid; N-(4-ethoxyphenyl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; hydrate Openeye Name: N-(4-ethoxyphenyl)-N-[1-methyl-2-(4-phenethylpiperazin-1-yl)ethyl]propanamide; oxalic acid; hydrate CAS Name: N-(4-ethoxyphenyl)-N-[1-(4-phenethyl-1-piperazinyl)propan-2-yl]propanamide; oxalic acid; hydrate IUPAC Name: N-(4-ethoxyphenyl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; oxalic acid; hydrate Traditional Name: N-[1-methyl-2-(4-phenethylpiperazino)ethyl]-N-p-phenetyl-propionamide; oxalic acid; hydrate Formula: C60H84N6O21 MolecularWeight: 1225.33656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C26H37N3O2.4C2H2O4.H2O/c2*1-4-26(30)29(24-11-13-25(14-12-24)31-5-2)22(3)21-28-19-17-27(18-20-28)16-15-23-9-7-6-8-10-23;4*3-1(4)2(5)6;/h2*6-14,22H,4-5,15-21H2,1-3H3;4*(H,3,4)(H,5,6);1H2