4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-fluoranyl-benzoic acid

Systemtic Name: 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-fluoranyl-benzoic acid Openeye Name: 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-fluoro-benzoic acid CAS Name: 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-fluorobenzoic acid IUPAC Name: 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-fluorobenzoic acid Traditional Name: 4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-fluoro-benzoic acid Formula: C21H22FNO3 MolecularWeight: 355.402683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=C(C=C(C=C4)C(=O)O)F

Isomeric SMILES

C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=C(C=C(C=C4)C(=O)O)F

InChI

InChI=1S/C21H22FNO3/c22-19-13-16(21(24)25)5-7-20(19)26-18-6-4-14-8-10-23(17-2-1-3-17)11-9-15(14)12-18/h4-7,12-13,17H,1-3,8-11H2,(H,24,25)