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

Systemtic Name: 2-[[(E)-3-(3,4-dipropylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(3,4-dipropylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(3,4-dipropylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(3,4-dipropylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(3,4-dipropylphenyl)acryloyl]amino]benzoic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)CCC

Isomeric SMILES

CCCC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)CCC

InChI

InChI=1S/C22H25NO3/c1-3-7-17-13-11-16(15-18(17)8-4-2)12-14-21(24)23-20-10-6-5-9-19(20)22(25)26/h5-6,9-15H,3-4,7-8H2,1-2H3,(H,23,24)(H,25,26)/b14-12+