ethyl 4-[[(E)-2-cyano-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(2-isopropoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(2-propan-2-yloxyphenyl)prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2-isopropoxyphenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OC(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OC(C)C)/C#N

InChI

InChI=1S/C22H22N2O4/c1-4-27-22(26)16-9-11-19(12-10-16)24-21(25)18(14-23)13-17-7-5-6-8-20(17)28-15(2)3/h5-13,15H,4H2,1-3H3,(H,24,25)/b18-13+