ethanedioic acid; 2-[[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]amino]-N-(4-methylphenyl)propanamide

Systemtic Name: ethanedioic acid; 2-[[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]amino]-N-(4-methylphenyl)propanamide Openeye Name: 2-[[2-(2-furyl)-2-(1-piperidyl)ethyl]amino]-N-(p-tolyl)propanamide; oxalic acid CAS Name: 2-[[2-(2-furanyl)-2-(1-piperidinyl)ethyl]amino]-N-(4-methylphenyl)propanamide; oxalic acid IUPAC Name: 2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-N-(4-methylphenyl)propanamide; oxalic acid Traditional Name: 2-[[2-(2-furyl)-2-piperidino-ethyl]amino]-N-(p-tolyl)propionamide; oxalic acid Formula: C25H33N3O10 MolecularWeight: 535.54362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)NCC(C2=CC=CO2)N3CCCCC3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)NCC(C2=CC=CO2)N3CCCCC3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29N3O2.2C2H2O4/c1-16-8-10-18(11-9-16)23-21(25)17(2)22-15-19(20-7-6-14-26-20)24-12-4-3-5-13-24;2*3-1(4)2(5)6/h6-11,14,17,19,22H,3-5,12-13,15H2,1-2H3,(H,23,25);2*(H,3,4)(H,5,6)