2-[2-[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyl-1,2,3,4-tetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethoxy]ethanoic acid

Systemtic Name: 2-[2-[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyl-1,2,3,4-tetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethoxy]ethanoic acid Openeye Name: 2-[2-[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethoxy]acetic acid CAS Name: 2-[2-[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyl-5-tetrazolyl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethoxy]acetic acid IUPAC Name: 2-[2-[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethoxy]acetic acid Traditional Name: 2-[2-[(5S)-5-[[3,5-bis(trifluoromethyl)benzyl]-(2-methyltetrazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]ethoxy]acetic acid Formula: C27H27F9N6O3 MolecularWeight: 654.527309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CCCN2CCOCC(=O)O)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NN(N=N4)C)C(F)(F)F

Isomeric SMILES

CC1=C(C=C2C(=C1)[C@H](CCCN2CCOCC(=O)O)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NN(N=N4)C)C(F)(F)F

InChI

InChI=1S/C27H27F9N6O3/c1-15-8-19-21(4-3-5-41(6-7-45-14-23(43)44)22(19)12-20(15)27(34,35)36)42(24-37-39-40(2)38-24)13-16-9-17(25(28,29)30)11-18(10-16)26(31,32)33/h8-12,21H,3-7,13-14H2,1-2H3,(H,43,44)/t21-/m0/s1