ethyl 4-[4-[[(Z)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoylamino]butanoate

Systemtic Name: ethyl 4-[4-[[(Z)-(3-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoylamino]butanoate Openeye Name: ethyl 4-[4-[[(Z)-(3-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoylamino]butanoate CAS Name: 4-[[4-[[(Z)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]-1-oxobutyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[(Z)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]butanoylamino]butanoate Traditional Name: 4-[4-[[(Z)-(3-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]butanoylamino]butyric acid ethyl ester Formula: C23H27FN2O4 MolecularWeight: 414.469883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CCCNC(=C1C=C(C=CC1=O)F)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCNC(=O)CCCN/C(=C\1/C=C(C=CC1=O)F)/C2=CC=CC=C2

InChI

InChI=1S/C23H27FN2O4/c1-2-30-22(29)11-7-14-25-21(28)10-6-15-26-23(17-8-4-3-5-9-17)19-16-18(24)12-13-20(19)27/h3-5,8-9,12-13,16,26H,2,6-7,10-11,14-15H2,1H3,(H,25,28)/b23-19-