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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2C(NC3=CC=CC=C3C=C2C(=O)O)CC(C)C

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2C(NC3=CC=CC=C3C=C2C(=O)O)CC(C)C

InChI

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