2-[(4-cyanophenyl)amino]-2-[3-methyl-5-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-methyl-5-(1-methylpiperidin-4-yl)oxy-phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-methyl-5-[(1-methyl-4-piperidyl)oxy]phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-methyl-5-[(1-methyl-4-piperidinyl)oxy]phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-methyl-5-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[3-methyl-5-[(1-methyl-4-piperidyl)oxy]phenyl]acetic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2CCN(CC2)C)C(C(=O)O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)OC2CCN(CC2)C)C(C(=O)O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25N3O3/c1-15-11-17(13-20(12-15)28-19-7-9-25(2)10-8-19)21(22(26)27)24-18-5-3-16(14-23)4-6-18/h3-6,11-13,19,21,24H,7-10H2,1-2H3,(H,26,27)