2-[(4-cyanophenyl)amino]-2-[4-(2-dimethylaminoethyloxy)-3-ethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[4-(2-dimethylaminoethyloxy)-3-ethoxy-phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[4-(2-dimethylaminoethyloxy)-3-ethoxy-phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[4-(2-dimethylaminoethyloxy)-3-ethoxyphenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[4-(2-dimethylaminoethyloxy)-3-ethoxyphenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[4-(2-dimethylaminoethyloxy)-3-ethoxy-phenyl]acetic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCCN(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCCN(C)C

InChI

InChI=1S/C21H25N3O4/c1-4-27-19-13-16(7-10-18(19)28-12-11-24(2)3)20(21(25)26)23-17-8-5-15(14-22)6-9-17/h5-10,13,20,23H,4,11-12H2,1-3H3,(H,25,26)