ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloranyl-benzoate

Systemtic Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloranyl-benzoate Openeye Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-benzoate CAS Name: 5-[[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]amino]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chlorobenzoate Traditional Name: 5-[[(E)-3-(4-tert-butylphenyl)acryloyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3/c1-5-27-21(26)18-14-17(11-12-19(18)23)24-20(25)13-8-15-6-9-16(10-7-15)22(2,3)4/h6-14H,5H2,1-4H3,(H,24,25)/b13-8+