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

Systemtic Name: 2-[[(E)-3-(2,3-dipropylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(2,3-dipropylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(2,3-dipropylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(2,3-dipropylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(2,3-dipropylphenyl)acryloyl]amino]benzoic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1CCC)C=CC(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCC1=CC=CC(=C1CCC)/C=C/C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C22H25NO3/c1-3-8-16-10-7-11-17(18(16)9-4-2)14-15-21(24)23-20-13-6-5-12-19(20)22(25)26/h5-7,10-15H,3-4,8-9H2,1-2H3,(H,23,24)(H,25,26)/b15-14+