2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-3-(5-fluoranyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-3-(5-fluoranyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-3-(5-fluoro-1H-indol-3-yl)propanoic acid CAS Name: 2-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-3-(5-fluoro-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[4-(dimethylamino)-4-phenylcyclohexyl]amino]-3-(5-fluoro-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]amino]-3-(5-fluoro-1H-indol-3-yl)propionic acid Formula: C25H30FN3O2 MolecularWeight: 423.523003

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)NC(CC2=CNC3=C2C=C(C=C3)F)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1(CCC(CC1)NC(CC2=CNC3=C2C=C(C=C3)F)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H30FN3O2/c1-29(2)25(18-6-4-3-5-7-18)12-10-20(11-13-25)28-23(24(30)31)14-17-16-27-22-9-8-19(26)15-21(17)22/h3-9,15-16,20,23,27-28H,10-14H2,1-2H3,(H,30,31)