ethanedioic acid; [4-[2-oxidanyl-3-(3-propan-2-yloxypropylamino)propoxy]phenyl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[2-oxidanyl-3-(3-propan-2-yloxypropylamino)propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[2-hydroxy-3-(3-isopropoxypropylamino)propoxy]phenyl]-phenyl-methanone; oxalic acid CAS Name: [4-[2-hydroxy-3-(3-propan-2-yloxypropylamino)propoxy]phenyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[2-hydroxy-3-(3-propan-2-yloxypropylamino)propoxy]phenyl]-phenylmethanone; oxalic acid Traditional Name: [4-[2-hydroxy-3-(3-isopropoxypropylamino)propoxy]phenyl]-phenyl-methanone; oxalic acid Formula: C24H31NO8 MolecularWeight: 461.50484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNCC(COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OCCCNCC(COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29NO4.C2H2O4/c1-17(2)26-14-6-13-23-15-20(24)16-27-21-11-9-19(10-12-21)22(25)18-7-4-3-5-8-18;3-1(4)2(5)6/h3-5,7-12,17,20,23-24H,6,13-16H2,1-2H3;(H,3,4)(H,5,6)