[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(4-fluorophenyl)-2-propenoic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-fluorophenyl)acrylic acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C21H22FNO3 MolecularWeight: 355.402683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C21H22FNO3/c1-3-15(2)17-7-11-19(12-8-17)23-20(24)14-26-21(25)13-6-16-4-9-18(22)10-5-16/h4-13,15H,3,14H2,1-2H3,(H,23,24)/b13-6+