3-[[4-(diethylcarbamoyl)phenyl]-[1-(phenylmethyl)piperidin-4-yl]amino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[[4-(diethylcarbamoyl)phenyl]-[1-(phenylmethyl)piperidin-4-yl]amino]-4-fluoranyl-benzoic acid Openeye Name: 3-[N-(1-benzyl-4-piperidyl)-4-(diethylcarbamoyl)anilino]-4-fluoro-benzoic acid CAS Name: 3-[4-[diethylamino(oxo)methyl]-N-[1-(phenylmethyl)-4-piperidinyl]anilino]-4-fluorobenzoic acid IUPAC Name: 3-[N-(1-benzylpiperidin-4-yl)-4-(diethylcarbamoyl)anilino]-4-fluorobenzoic acid Traditional Name: 3-[N-(1-benzyl-4-piperidyl)-4-(diethylcarbamoyl)anilino]-4-fluoro-benzoic acid Formula: C30H34FN3O3 MolecularWeight: 503.607663

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)N(C2CCN(CC2)CC3=CC=CC=C3)C4=C(C=CC(=C4)C(=O)O)F

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)N(C2CCN(CC2)CC3=CC=CC=C3)C4=C(C=CC(=C4)C(=O)O)F

InChI

InChI=1S/C30H34FN3O3/c1-3-33(4-2)29(35)23-10-13-25(14-11-23)34(28-20-24(30(36)37)12-15-27(28)31)26-16-18-32(19-17-26)21-22-8-6-5-7-9-22/h5-15,20,26H,3-4,16-19,21H2,1-2H3,(H,36,37)