(4R)-3-oxidanylidene-8-[2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethoxy]-2-[2,2,2-tris(fluoranyl)ethyl]-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid

Systemtic Name: (4R)-3-oxidanylidene-8-[2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethoxy]-2-[2,2,2-tris(fluoranyl)ethyl]-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid Openeye Name: (4R)-3-oxo-8-[2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethoxy]-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid CAS Name: (4R)-3-oxo-8-[2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethoxy]-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid IUPAC Name: (4R)-3-oxo-8-[2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethoxy]-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid Traditional Name: (4R)-3-keto-8-[2-(6,7,8,9-tetrahydro-5H-pyrid[2,3-b]azepin-2-yl)ethoxy]-2-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-2-benzazepine-4-carboxylic acid Formula: C24H26F3N3O4 MolecularWeight: 477.47615

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=C(C1)C=CC(=N2)CCOC3=CC4=C(CC(C(=O)N(C4)CC(F)(F)F)C(=O)O)C=C3

Isomeric SMILES

C1CCNC2=C(C1)C=CC(=N2)CCOC3=CC4=C(C[C@H](C(=O)N(C4)CC(F)(F)F)C(=O)O)C=C3

InChI

InChI=1S/C24H26F3N3O4/c25-24(26,27)14-30-13-17-11-19(7-5-16(17)12-20(22(30)31)23(32)33)34-10-8-18-6-4-15-3-1-2-9-28-21(15)29-18/h4-7,11,20H,1-3,8-10,12-14H2,(H,28,29)(H,32,33)/t20-/m1/s1