2-[2-[[4-[3-[2-[(4-fluorophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepin-8-yl]-3-oxidanylidene-propyl]piperidin-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[[4-[3-[2-[(4-fluorophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepin-8-yl]-3-oxidanylidene-propyl]piperidin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[[4-[3-[2-[(4-fluorophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepin-8-yl]-3-oxo-propyl]-1-piperidyl]methyl]phenoxy]acetic acid CAS Name: 2-[2-[[4-[3-[2-[(4-fluorophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepin-8-yl]-3-oxopropyl]-1-piperidinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[[4-[3-[2-[(4-fluorophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepin-8-yl]-3-oxopropyl]piperidin-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[2-[[4-[3-[2-(4-fluorobenzyl)-1,3,4,5-tetrahydro-2-benzazepin-8-yl]-3-keto-propyl]piperidino]methyl]phenoxy]acetic acid Formula: C34H39FN2O4 MolecularWeight: 558.682863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CN(C1)CC3=CC=C(C=C3)F)C=C(C=C2)C(=O)CCC4CCN(CC4)CC5=CC=CC=C5OCC(=O)O

Isomeric SMILES

C1CC2=C(CN(C1)CC3=CC=C(C=C3)F)C=C(C=C2)C(=O)CCC4CCN(CC4)CC5=CC=CC=C5OCC(=O)O

InChI

InChI=1S/C34H39FN2O4/c35-31-12-7-26(8-13-31)21-37-17-3-5-27-10-11-28(20-30(27)23-37)32(38)14-9-25-15-18-36(19-16-25)22-29-4-1-2-6-33(29)41-24-34(39)40/h1-2,4,6-8,10-13,20,25H,3,5,9,14-19,21-24H2,(H,39,40)