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

Systemtic Name: 2-[[(E)-3-(3-methoxy-4-pentan-3-yloxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-[4-(1-ethylpropoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(3-methoxy-4-pentan-3-yloxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(3-methoxy-4-pentan-3-yloxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-[4-(1-ethylpropoxy)-3-methoxy-phenyl]acryloyl]amino]benzoic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

CCC(CC)OC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C22H25NO5/c1-4-16(5-2)28-19-12-10-15(14-20(19)27-3)11-13-21(24)23-18-9-7-6-8-17(18)22(25)26/h6-14,16H,4-5H2,1-3H3,(H,23,24)(H,25,26)/b13-11+