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

Systemtic Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(4-isopentyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(4-isoamoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C23H24N2O5/c1-15(2)10-11-30-20-9-4-16(13-21(20)29-3)12-18(14-24)22(26)25-19-7-5-17(6-8-19)23(27)28/h4-9,12-13,15H,10-11H2,1-3H3,(H,25,26)(H,27,28)/b18-12+