methyl 2-[1-[[2,2-diethoxyethyl-[3-[2,2,2-tris(fluoranyl)ethanoyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]carbamoyl]amino]cyclohexyl]oxyethanoate

Systemtic Name: methyl 2-[1-[[2,2-diethoxyethyl-[3-[2,2,2-tris(fluoranyl)ethanoyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]carbamoyl]amino]cyclohexyl]oxyethanoate Openeye Name: methyl 2-[1-[[2,2-diethoxyethyl-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]carbamoyl]amino]cyclohexoxy]acetate CAS Name: 2-[1-[[[2,2-diethoxyethyl-[3-(2,2,2-trifluoro-1-oxoethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]-oxomethyl]amino]cyclohexyl]oxyacetic acid methyl ester IUPAC Name: methyl 2-[1-[[2,2-diethoxyethyl-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]carbamoyl]amino]cyclohexyl]oxyacetate Traditional Name: 2-[1-[[2,2-diethoxyethyl-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]carbamoyl]amino]cyclohexoxy]acetic acid methyl ester Formula: C28H40F3N3O7 MolecularWeight: 587.62831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(C1=CC2=C(CCN(CC2)C(=O)C(F)(F)F)C=C1)C(=O)NC3(CCCCC3)OCC(=O)OC)OCC

Isomeric SMILES

CCOC(CN(C1=CC2=C(CCN(CC2)C(=O)C(F)(F)F)C=C1)C(=O)NC3(CCCCC3)OCC(=O)OC)OCC

InChI

InChI=1S/C28H40F3N3O7/c1-4-39-24(40-5-2)18-34(26(37)32-27(13-7-6-8-14-27)41-19-23(35)38-3)22-10-9-20-11-15-33(16-12-21(20)17-22)25(36)28(29,30)31/h9-10,17,24H,4-8,11-16,18-19H2,1-3H3,(H,32,37)