3-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]-2-(methylamino)benzoic acid

Systemtic Name: 3-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]-2-(methylamino)benzoic acid Openeye Name: 3-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]-2-(methylamino)benzoic acid CAS Name: 3-[3-(dicyanomethyl)-4,4-dimethoxybutyl]-2-(methylamino)benzoic acid IUPAC Name: 3-[3-(dicyanomethyl)-4,4-dimethoxybutyl]-2-(methylamino)benzoic acid Traditional Name: 3-[3-(dicyanomethyl)-4,4-dimethoxy-butyl]-2-(methylamino)benzoic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC=C1CCC(C(C#N)C#N)C(OC)OC)C(=O)O

Isomeric SMILES

CNC1=C(C=CC=C1CCC(C(C#N)C#N)C(OC)OC)C(=O)O

InChI

InChI=1S/C17H21N3O4/c1-20-15-11(5-4-6-14(15)16(21)22)7-8-13(12(9-18)10-19)17(23-2)24-3/h4-6,12-13,17,20H,7-8H2,1-3H3,(H,21,22)