5-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 5-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-[[(E)-1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-[[(E)-3-(4-amylphenyl)acryloyl]amino]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=C3C(=CC=C2)OCC(O3)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=C3C(=CC=C2)OCC(O3)C(=O)O

InChI

InChI=1S/C23H25NO5/c1-2-3-4-6-16-9-11-17(12-10-16)13-14-21(25)24-18-7-5-8-19-22(18)29-20(15-28-19)23(26)27/h5,7-14,20H,2-4,6,15H2,1H3,(H,24,25)(H,26,27)/b14-13+