2-[4-[2-oxidanylpropyl(propyl)amino]phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[2-oxidanylpropyl(propyl)amino]phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[2-hydroxypropyl(propyl)amino]benzoyl]benzoic acid CAS Name: 2-[[4-[2-hydroxypropyl(propyl)amino]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[2-hydroxypropyl(propyl)amino]benzoyl]benzoic acid Traditional Name: 2-[4-[2-hydroxypropyl(propyl)amino]benzoyl]benzoic acid Formula: C20H23NO4 MolecularWeight: 341.40092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(C)O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCN(CC(C)O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H23NO4/c1-3-12-21(13-14(2)22)16-10-8-15(9-11-16)19(23)17-6-4-5-7-18(17)20(24)25/h4-11,14,22H,3,12-13H2,1-2H3,(H,24,25)