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

Systemtic Name: 3-[4-[3-(4-chlorophenyl)propylamino]phenyl]prop-2-ynoic acid Openeye Name: 3-[4-[3-(4-chlorophenyl)propylamino]phenyl]prop-2-ynoic acid CAS Name: 3-[4-[3-(4-chlorophenyl)propylamino]phenyl]-2-propynoic acid IUPAC Name: 3-[4-[3-(4-chlorophenyl)propylamino]phenyl]prop-2-ynoic acid Traditional Name: 3-[4-[3-(4-chlorophenyl)propylamino]phenyl]propiolic acid Formula: C18H16ClNO2 MolecularWeight: 313.77814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCNC2=CC=C(C=C2)C#CC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CCCNC2=CC=C(C=C2)C#CC(=O)O)Cl

InChI

InChI=1S/C18H16ClNO2/c19-16-8-3-14(4-9-16)2-1-13-20-17-10-5-15(6-11-17)7-12-18(21)22/h3-6,8-11,20H,1-2,13H2,(H,21,22)