2-[(4S)-8-[3-[(4-methylpyridin-2-yl)amino]propoxy]-3-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[(4S)-8-[3-[(4-methylpyridin-2-yl)amino]propoxy]-3-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[(4S)-8-[3-[(4-methyl-2-pyridyl)amino]propoxy]-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[(4S)-8-[3-[(4-methyl-2-pyridinyl)amino]propoxy]-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[(4S)-8-[3-[(4-methylpyridin-2-yl)amino]propoxy]-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[(4S)-3-keto-8-[3-[(4-methyl-2-pyridyl)amino]propoxy]-2-[4-(trifluoromethyl)benzyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C29H30F3N3O4 MolecularWeight: 541.56141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCCCOC2=CC3=C(CC(C(=O)N(C3)CC4=CC=C(C=C4)C(F)(F)F)CC(=O)O)C=C2

Isomeric SMILES

CC1=CC(=NC=C1)NCCCOC2=CC3=C(C[C@H](C(=O)N(C3)CC4=CC=C(C=C4)C(F)(F)F)CC(=O)O)C=C2

InChI

InChI=1S/C29H30F3N3O4/c1-19-9-11-34-26(13-19)33-10-2-12-39-25-8-5-21-14-22(16-27(36)37)28(38)35(18-23(21)15-25)17-20-3-6-24(7-4-20)29(30,31)32/h3-9,11,13,15,22H,2,10,12,14,16-18H2,1H3,(H,33,34)(H,36,37)/t22-/m0/s1