ethanedioic acid; 3-methoxy-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzaldehyde

Systemtic Name: ethanedioic acid; 3-methoxy-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzaldehyde Openeye Name: 4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methoxy-benzaldehyde; oxalic acid CAS Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzaldehyde; oxalic acid IUPAC Name: 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxybenzaldehyde; oxalic acid Traditional Name: 4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methoxy-benzaldehyde; oxalic acid Formula: C16H23NO8 MolecularWeight: 357.35572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=C(C=C(C=C1)C=O)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCC(COC1=C(C=C(C=C1)C=O)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21NO4.C2H2O4/c1-10(2)15-7-12(17)9-19-13-5-4-11(8-16)6-14(13)18-3;3-1(4)2(5)6/h4-6,8,10,12,15,17H,7,9H2,1-3H3;(H,3,4)(H,5,6)