ethyl 3-[4-[[2,2-diethoxyethyl-[3-[2,2,2-tris(fluoranyl)ethanoyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]carbamoyl]amino]phenyl]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[4-[[2,2-diethoxyethyl-[3-[2,2,2-tris(fluoranyl)ethanoyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]carbamoyl]amino]phenyl]-3-phenyl-propanoate Openeye Name: ethyl 3-[4-[[2,2-diethoxyethyl-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]carbamoyl]amino]phenyl]-3-phenyl-propanoate CAS Name: 3-[4-[[[2,2-diethoxyethyl-[3-(2,2,2-trifluoro-1-oxoethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]-oxomethyl]amino]phenyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[[2,2-diethoxyethyl-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]carbamoyl]amino]phenyl]-3-phenylpropanoate Traditional Name: 3-[4-[[2,2-diethoxyethyl-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]carbamoyl]amino]phenyl]-3-phenyl-propionic acid ethyl ester Formula: C36H42F3N3O6 MolecularWeight: 669.73039

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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=CC=C(C=C3)C(CC(=O)OCC)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC(CN(C1=CC2=C(CCN(CC2)C(=O)C(F)(F)F)C=C1)C(=O)NC3=CC=C(C=C3)C(CC(=O)OCC)C4=CC=CC=C4)OCC

InChI

InChI=1S/C36H42F3N3O6/c1-4-46-32(43)23-31(26-10-8-7-9-11-26)27-12-15-29(16-13-27)40-35(45)42(24-33(47-5-2)48-6-3)30-17-14-25-18-20-41(21-19-28(25)22-30)34(44)36(37,38)39/h7-17,22,31,33H,4-6,18-21,23-24H2,1-3H3,(H,40,45)