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

Systemtic Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(4-isopropoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C21H20N2O5/c1-13(2)28-18-9-8-14(11-19(18)27-3)10-15(12-22)20(24)23-17-7-5-4-6-16(17)21(25)26/h4-11,13H,1-3H3,(H,23,24)(H,25,26)/b15-10+