ethyl 5-chloranyl-4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-2-methoxy-benzoate

Systemtic Name: ethyl 5-chloranyl-4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-2-methoxy-benzoate Openeye Name: ethyl 5-chloro-4-[[(E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]-2-methoxy-benzoate CAS Name: 5-chloro-4-[[(E)-2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-2-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-2-methoxybenzoate Traditional Name: 5-chloro-4-[[(E)-2-cyano-3-p-cumenyl-acryloyl]amino]-2-methoxy-benzoic acid ethyl ester Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1OC)NC(=O)C(=CC2=CC=C(C=C2)C(C)C)C#N)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1OC)NC(=O)/C(=C/C2=CC=C(C=C2)C(C)C)/C#N)Cl

InChI

InChI=1S/C23H23ClN2O4/c1-5-30-23(28)18-11-19(24)20(12-21(18)29-4)26-22(27)17(13-25)10-15-6-8-16(9-7-15)14(2)3/h6-12,14H,5H2,1-4H3,(H,26,27)/b17-10+