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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CC(=CC=C2)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)F

InChI

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