2-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-9-carboxylic acid

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-9-carboxylic acid Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-2,3-dihydro-1-benzazepine-9-carboxylic acid CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-9-carboxylic acid IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-9-carboxylic acid Traditional Name: 2-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-2,3-dihydro-1-benzazepine-9-carboxylic acid Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2CC=CC3=C(N2CC(C)C)C(=CC=C3)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC=CC3=C(N2CC(C)C)C(=CC=C3)C(=O)O

InChI

InChI=1S/C27H35NO4/c1-4-5-16-31-17-18-32-23-14-12-21(13-15-23)25-11-7-9-22-8-6-10-24(27(29)30)26(22)28(25)19-20(2)3/h6-10,12-15,20,25H,4-5,11,16-19H2,1-3H3,(H,29,30)