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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-ethoxyethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-ethoxyethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-ethoxyethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-ethoxyethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-ethoxyethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C27H35NO5 MolecularWeight: 453.5705

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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)CCOCC

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO5/c1-3-5-15-32-17-18-33-25-9-6-21(7-10-25)22-8-11-26-24(19-22)20-23(27(29)30)12-13-28(26)14-16-31-4-2/h6-11,19-20H,3-5,12-18H2,1-2H3,(H,29,30)