4-[[4-[2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)OC)C#N

Isomeric SMILES

CC(C)NC(=O)C(=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)OC)C#N

InChI

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