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

Systemtic Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(3-isobutoxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(3-isobutoxy-4-methoxy-phenyl)acryloyl]amino]benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C22H22N2O5/c1-14(2)13-29-20-11-15(8-9-19(20)28-3)10-16(12-23)21(25)24-18-7-5-4-6-17(18)22(26)27/h4-11,14H,13H2,1-3H3,(H,24,25)(H,26,27)/b16-10+