ethanedioic acid; 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1-phenyl-3-pyridin-3-yl-propan-1-one

Systemtic Name: ethanedioic acid; 2-[2-oxidanyl-3-(propan-2-ylamino)propoxy]-1-phenyl-3-pyridin-3-yl-propan-1-one Openeye Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]-1-phenyl-3-(3-pyridyl)propan-1-one; oxalic acid CAS Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-phenyl-3-(3-pyridinyl)-1-propanone; oxalic acid IUPAC Name: 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-phenyl-3-pyridin-3-ylpropan-1-one; oxalic acid Traditional Name: 2-[2-hydroxy-3-(isopropylamino)propoxy]-1-phenyl-3-(3-pyridyl)propan-1-one; oxalic acid Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC(CC1=CN=CC=C1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCC(COC(CC1=CN=CC=C1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O3.C2H2O4/c1-15(2)22-13-18(23)14-25-19(11-16-7-6-10-21-12-16)20(24)17-8-4-3-5-9-17;3-1(4)2(5)6/h3-10,12,15,18-19,22-23H,11,13-14H2,1-2H3;(H,3,4)(H,5,6)