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

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(3-ethyl-5-piperazin-1-yl-phenyl)ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(3-ethyl-5-piperazin-1-yl-phenyl)acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-ethyl-5-(1-piperazinyl)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(3-ethyl-5-piperazin-1-ylphenyl)acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(3-ethyl-5-piperazino-phenyl)acetic acid Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)N2CCNCC2)C(C(=O)O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1)N2CCNCC2)C(C(=O)O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H24N4O2/c1-2-15-11-17(13-19(12-15)25-9-7-23-8-10-25)20(21(26)27)24-18-5-3-16(14-22)4-6-18/h3-6,11-13,20,23-24H,2,7-10H2,1H3,(H,26,27)