3-[4-(2-cyclopentylbutylamino)phenyl]prop-2-ynoic acid

Systemtic Name: 3-[4-(2-cyclopentylbutylamino)phenyl]prop-2-ynoic acid Openeye Name: 3-[4-(2-cyclopentylbutylamino)phenyl]prop-2-ynoic acid CAS Name: 3-[4-(2-cyclopentylbutylamino)phenyl]-2-propynoic acid IUPAC Name: 3-[4-(2-cyclopentylbutylamino)phenyl]prop-2-ynoic acid Traditional Name: 3-[4-(2-cyclopentylbutylamino)phenyl]propiolic acid Formula: C18H23NO2 MolecularWeight: 285.38072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC=C(C=C1)C#CC(=O)O)C2CCCC2

Isomeric SMILES

CCC(CNC1=CC=C(C=C1)C#CC(=O)O)C2CCCC2

InChI

InChI=1S/C18H23NO2/c1-2-15(16-5-3-4-6-16)13-19-17-10-7-14(8-11-17)9-12-18(20)21/h7-8,10-11,15-16,19H,2-6,13H2,1H3,(H,20,21)