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

Systemtic Name: 2-[[(E)-3-(3-but-2-ynoxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(3-but-2-ynoxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(3-but-2-ynoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(3-but-2-ynoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(3-but-2-ynoxy-4-methoxy-phenyl)acryloyl]amino]benzoic acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO5/c1-3-4-13-27-19-14-15(9-11-18(19)26-2)10-12-20(23)22-17-8-6-5-7-16(17)21(24)25/h5-12,14H,13H2,1-2H3,(H,22,23)(H,24,25)/b12-10+