2-[[(E)-3-(3-hex-3-ynoxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(3-hex-3-ynoxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(3-hex-3-ynoxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(3-hex-3-ynoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(3-hex-3-ynoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(3-hex-3-ynoxy-4-methoxy-phenyl)acryloyl]amino]benzoic acid Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCOC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

CCC#CCCOC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C23H23NO5/c1-3-4-5-8-15-29-21-16-17(11-13-20(21)28-2)12-14-22(25)24-19-10-7-6-9-18(19)23(26)27/h6-7,9-14,16H,3,8,15H2,1-2H3,(H,24,25)(H,26,27)/b14-12+