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

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-1-ethoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-1-ethoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-1-ethoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-1-ethoxycarbonyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-[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)C2CC(=CC3=CC=CC=C3N2C(=O)OCC)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2C(=O)OCC)C(=O)O

InChI

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