2-[[(E)-3-(3,4-dipropoxyphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(3,4-dipropoxyphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(3,4-dipropoxyphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(3,4-dipropoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(3,4-dipropoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(3,4-dipropoxyphenyl)acryloyl]amino]benzoic acid Formula: C22H25NO5 MolecularWeight: 383.4376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OCCC

InChI

InChI=1S/C22H25NO5/c1-3-13-27-19-11-9-16(15-20(19)28-14-4-2)10-12-21(24)23-18-8-6-5-7-17(18)22(25)26/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,24)(H,25,26)/b12-10+