7-[4-(1-butoxyethoxy)phenyl]-1-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-(2-fluorobenzyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C30H32FNO4 MolecularWeight: 489.577783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CC=CC=C4F

Isomeric SMILES

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CC=CC=C4F

InChI

InChI=1S/C30H32FNO4/c1-3-4-17-35-21(2)36-27-12-9-22(10-13-27)23-11-14-29-26(18-23)19-24(30(33)34)15-16-32(29)20-25-7-5-6-8-28(25)31/h5-14,18-19,21H,3-4,15-17,20H2,1-2H3,(H,33,34)