methyl 4-[4-[2-[[6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoylamino]imidazol-1-yl]benzoate

Systemtic Name: methyl 4-[4-[2-[[6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoylamino]imidazol-1-yl]benzoate Openeye Name: methyl 4-[4-[2-[(6,8-difluorotetralin-2-yl)amino]pentanoylamino]imidazol-1-yl]benzoate CAS Name: 4-[4-[[2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-oxopentyl]amino]-1-imidazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoylamino]imidazol-1-yl]benzoate Traditional Name: 4-[4-[2-[(6,8-difluorotetralin-2-yl)amino]pentanoylamino]imidazol-1-yl]benzoic acid methyl ester Formula: C26H28F2N4O3 MolecularWeight: 482.522326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CN(C=N1)C2=CC=C(C=C2)C(=O)OC)NC3CCC4=CC(=CC(=C4C3)F)F

Isomeric SMILES

CCCC(C(=O)NC1=CN(C=N1)C2=CC=C(C=C2)C(=O)OC)NC3CCC4=CC(=CC(=C4C3)F)F

InChI

InChI=1S/C26H28F2N4O3/c1-3-4-23(30-19-8-5-17-11-18(27)12-22(28)21(17)13-19)25(33)31-24-14-32(15-29-24)20-9-6-16(7-10-20)26(34)35-2/h6-7,9-12,14-15,19,23,30H,3-5,8,13H2,1-2H3,(H,31,33)