ethanedioic acid; 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: ethanedioic acid; 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide Openeye Name: oxalic acid; 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide CAS Name: oxalic acid; 2-[4-(2-phenoxyethyl)-1-piperazinyl]-N-(4-phenoxyphenyl)propanamide IUPAC Name: oxalic acid; 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(4-phenoxyphenyl)propanamide Traditional Name: oxalic acid; 2-[4-(2-phenoxyethyl)piperazino]-N-(4-phenoxyphenyl)propionamide Formula: C31H35N3O11 MolecularWeight: 625.6231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)CCOC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)CCOC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H31N3O3.2C2H2O4/c1-22(30-18-16-29(17-19-30)20-21-32-24-8-4-2-5-9-24)27(31)28-23-12-14-26(15-13-23)33-25-10-6-3-7-11-25;2*3-1(4)2(5)6/h2-15,22H,16-21H2,1H3,(H,28,31);2*(H,3,4)(H,5,6)