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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-ethoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-ethoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-ethoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-ethoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-carbethoxy-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C26H31NO6 MolecularWeight: 453.52744

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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(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO6/c1-3-5-14-31-15-16-33-23-9-6-19(7-10-23)20-8-11-24-22(17-20)18-21(25(28)29)12-13-27(24)26(30)32-4-2/h6-11,17-18H,3-5,12-16H2,1-2H3,(H,28,29)