ethanedioic acid; (E)-3-[2-[2-oxidanyl-3-(propan-2-ylamino)butoxy]phenyl]prop-2-enenitrile

Systemtic Name: ethanedioic acid; (E)-3-[2-[2-oxidanyl-3-(propan-2-ylamino)butoxy]phenyl]prop-2-enenitrile Openeye Name: (E)-3-[2-[2-hydroxy-3-(isopropylamino)butoxy]phenyl]prop-2-enenitrile; oxalic acid CAS Name: (E)-3-[2-[2-hydroxy-3-(propan-2-ylamino)butoxy]phenyl]-2-propenenitrile; oxalic acid IUPAC Name: (E)-3-[2-[2-hydroxy-3-(propan-2-ylamino)butoxy]phenyl]prop-2-enenitrile; oxalic acid Traditional Name: (E)-3-[2-[2-hydroxy-3-(isopropylamino)butoxy]phenyl]acrylonitrile; oxalic acid Formula: C18H24N2O6 MolecularWeight: 364.39296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(C)C(COC1=CC=CC=C1C=CC#N)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NC(C)C(COC1=CC=CC=C1/C=C/C#N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22N2O2.C2H2O4/c1-12(2)18-13(3)15(19)11-20-16-9-5-4-7-14(16)8-6-10-17;3-1(4)2(5)6/h4-9,12-13,15,18-19H,11H2,1-3H3;(H,3,4)(H,5,6)/b8-6+;