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

Systemtic Name: 3-[[2-cyano-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[3-methoxy-4-(p-tolylmethoxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[3-methoxy-4-(4-methylbenzyl)oxy-phenyl]acryloyl]amino]benzoic acid Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C26H22N2O5/c1-17-6-8-18(9-7-17)16-33-23-11-10-19(13-24(23)32-2)12-21(15-27)25(29)28-22-5-3-4-20(14-22)26(30)31/h3-14H,16H2,1-2H3,(H,28,29)(H,30,31)