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

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(3-methyl-5-pyrrolidin-1-yl-phenyl)ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(3-methyl-5-pyrrolidin-1-yl-phenyl)acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-methyl-5-(1-pyrrolidinyl)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(3-methyl-5-pyrrolidin-1-ylphenyl)acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(3-methyl-5-pyrrolidino-phenyl)acetic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCCC2)C(C(=O)O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCCC2)C(C(=O)O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O2/c1-14-10-16(12-18(11-14)23-8-2-3-9-23)19(20(24)25)22-17-6-4-15(13-21)5-7-17/h4-7,10-12,19,22H,2-3,8-9H2,1H3,(H,24,25)