2-[(4-cyanophenyl)amino]-2-[3-(cyclopentylcarbonylamino)-5-ethyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-(cyclopentylcarbonylamino)-5-ethyl-phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[3-(cyclopentanecarbonylamino)-5-ethyl-phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[3-[[cyclopentyl(oxo)methyl]amino]-5-ethylphenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[3-(cyclopentanecarbonylamino)-5-ethylphenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[3-(cyclopentanecarbonylamino)-5-ethyl-phenyl]acetic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)NC(=O)C2CCCC2)C(C(=O)O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1)NC(=O)C2CCCC2)C(C(=O)O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25N3O3/c1-2-15-11-18(13-20(12-15)26-22(27)17-5-3-4-6-17)21(23(28)29)25-19-9-7-16(14-24)8-10-19/h7-13,17,21,25H,2-6H2,1H3,(H,26,27)(H,28,29)