3-[[cyclohexylcarbonyl-[3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]amino]methyl]benzoic acid

Systemtic Name: 3-[[cyclohexylcarbonyl-[3-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]amino]methyl]benzoic acid Openeye Name: 3-[[N-(cyclohexanecarbonyl)-3-[(E)-3-methoxy-3-oxo-prop-1-enyl]anilino]methyl]benzoic acid CAS Name: 3-[[N-[cyclohexyl(oxo)methyl]-3-[(E)-3-methoxy-3-oxoprop-1-enyl]anilino]methyl]benzoic acid IUPAC Name: 3-[[N-(cyclohexanecarbonyl)-3-[(E)-3-methoxy-3-oxoprop-1-enyl]anilino]methyl]benzoic acid Traditional Name: 3-[[N-(cyclohexanecarbonyl)-3-[(E)-3-keto-3-methoxy-prop-1-enyl]anilino]methyl]benzoic acid Formula: C25H27NO5 MolecularWeight: 421.48558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC(=CC=C1)N(CC2=CC=CC(=C2)C(=O)O)C(=O)C3CCCCC3

Isomeric SMILES

COC(=O)/C=C/C1=CC(=CC=C1)N(CC2=CC=CC(=C2)C(=O)O)C(=O)C3CCCCC3

InChI

InChI=1S/C25H27NO5/c1-31-23(27)14-13-18-7-6-12-22(16-18)26(24(28)20-9-3-2-4-10-20)17-19-8-5-11-21(15-19)25(29)30/h5-8,11-16,20H,2-4,9-10,17H2,1H3,(H,29,30)/b14-13+