propan-2-yl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: propan-2-yl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: isopropyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-(dimethylamino)-2-oxo-ethyl]tetrazol-5-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-(dimethylamino)-2-oxoethyl]-5-tetrazolyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-[2-(dimethylamino)-2-oxoethyl]tetrazol-5-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: (2R,4S)-4-[[3,5-bis(trifluoromethyl)benzyl]-[2-[2-(dimethylamino)-2-keto-ethyl]tetrazol-5-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester Formula: C30H32F9N7O3 MolecularWeight: 709.605809

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(N1C(=O)OC(C)C)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NN(N=N4)CC(=O)N(C)C

Isomeric SMILES

CC[C@@H]1C[C@@H](C2=C(N1C(=O)OC(C)C)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NN(N=N4)CC(=O)N(C)C

InChI

InChI=1S/C30H32F9N7O3/c1-6-21-13-24(22-12-18(28(31,32)33)7-8-23(22)46(21)27(48)49-16(2)3)44(26-40-42-45(41-26)15-25(47)43(4)5)14-17-9-19(29(34,35)36)11-20(10-17)30(37,38)39/h7-12,16,21,24H,6,13-15H2,1-5H3/t21-,24+/m1/s1