4-[(Z)-2-cyano-3-phenylazanyl-prop-2-enyl]-2,6-diethoxy-benzoic acid

Systemtic Name: 4-[(Z)-2-cyano-3-phenylazanyl-prop-2-enyl]-2,6-diethoxy-benzoic acid Openeye Name: 4-[(Z)-3-anilino-2-cyano-allyl]-2,6-diethoxy-benzoic acid CAS Name: 4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-diethoxybenzoic acid IUPAC Name: 4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-diethoxybenzoic acid Traditional Name: 4-[(Z)-3-anilino-2-cyano-allyl]-2,6-diethoxy-benzoic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C(=O)O)OCC)CC(=CNC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1C(=O)O)OCC)C/C(=C/NC2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H22N2O4/c1-3-26-18-11-15(12-19(27-4-2)20(18)21(24)25)10-16(13-22)14-23-17-8-6-5-7-9-17/h5-9,11-12,14,23H,3-4,10H2,1-2H3,(H,24,25)/b16-14-