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

Systemtic Name: ethanedioic acid; 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: oxalic acid; 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: oxalic acid; 2-[4-(2-phenoxyethyl)-1-piperazinyl]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: oxalic acid; 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: oxalic acid; 2-[4-(2-phenoxyethyl)piperazino]-N-(4-piperidinophenyl)propionamide Formula: C30H40N4O10 MolecularWeight: 616.6594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)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)N2CCCCC2)N3CCN(CC3)CCOC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H36N4O2.2C2H2O4/c1-22(26(31)27-23-10-12-24(13-11-23)30-14-6-3-7-15-30)29-18-16-28(17-19-29)20-21-32-25-8-4-2-5-9-25;2*3-1(4)2(5)6/h2,4-5,8-13,22H,3,6-7,14-21H2,1H3,(H,27,31);2*(H,3,4)(H,5,6)