ethanedioic acid; 3-[2-methyl-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one

Systemtic Name: ethanedioic acid; 3-[2-methyl-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one Openeye Name: 3-[3-(isopropylamino)-2-methyl-propoxy]-2-phenyl-isoindolin-1-one; oxalic acid CAS Name: 3-[2-methyl-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one; oxalic acid IUPAC Name: 3-[2-methyl-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one; oxalic acid Traditional Name: 3-[3-(isopropylamino)-2-methyl-propoxy]-2-phenyl-isoindolin-1-one; oxalic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C)COC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCC(C)COC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O2.C2H2O4/c1-15(2)22-13-16(3)14-25-21-19-12-8-7-11-18(19)20(24)23(21)17-9-5-4-6-10-17;3-1(4)2(5)6/h4-12,15-16,21-22H,13-14H2,1-3H3;(H,3,4)(H,5,6)