2-[3-bromanyl-5-(cyclohexylmethyl)-8-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-bromanyl-5-(cyclohexylmethyl)-8-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-bromo-5-(cyclohexylmethyl)-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-bromo-5-(cyclohexylmethyl)-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-bromo-5-(cyclohexylmethyl)-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-bromo-5-(cyclohexylmethyl)-2-keto-8-methyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C20H26BrNO3 MolecularWeight: 408.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)Br)CC3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)Br)CC3CCCCC3

InChI

InChI=1S/C20H26BrNO3/c1-13-7-8-16-15(10-14-5-3-2-4-6-14)11-17(21)20(25)22(12-19(23)24)18(16)9-13/h7-9,14-15,17H,2-6,10-12H2,1H3,(H,23,24)