2-[4-(4-methoxyphenyl)-2-oxidanylidene-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethyl ethanoate

Systemtic Name: 2-[4-(4-methoxyphenyl)-2-oxidanylidene-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethyl ethanoate Openeye Name: 2-[4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethyl acetate CAS Name: acetic acid 2-[4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethyl ester IUPAC Name: 2-[4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethyl acetate Traditional Name: acetic acid 2-[2-keto-4-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-1-yl]ethyl ester Formula: C22H22F3NO4 MolecularWeight: 421.40959

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=O)CC(CC2=C1C=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OCCN1C(=O)CC(CC2=C1C=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22F3NO4/c1-14(27)30-10-9-26-20-8-5-18(22(23,24)25)12-17(20)11-16(13-21(26)28)15-3-6-19(29-2)7-4-15/h3-8,12,16H,9-11,13H2,1-2H3