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

Systemtic Name: 2-[[(E)-3-(4-methoxy-3-pent-2-ynoxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(4-methoxy-3-pent-2-ynoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(4-methoxy-3-pent-2-ynoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(4-methoxy-3-pent-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(4-methoxy-3-pent-2-ynoxy-phenyl)acryloyl]amino]benzoic acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

CCC#CCOC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C22H21NO5/c1-3-4-7-14-28-20-15-16(10-12-19(20)27-2)11-13-21(24)23-18-9-6-5-8-17(18)22(25)26/h5-6,8-13,15H,3,14H2,1-2H3,(H,23,24)(H,25,26)/b13-11+