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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-propan-2-yl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-isopropyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-propan-2-yl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-propan-2-yl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-isopropyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C(C)C

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C(C)C

InChI

InChI=1S/C26H33NO4/c1-4-5-14-30-15-16-31-24-9-6-20(7-10-24)21-8-11-25-23(17-21)18-22(26(28)29)12-13-27(25)19(2)3/h6-11,17-19H,4-5,12-16H2,1-3H3,(H,28,29)