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

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(3-methylbut-2-enyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(3-methylbut-2-enyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(3-methylbut-2-enyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(3-methylbut-2-enyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-[4-(2-butoxyethoxy)phenyl]-1-(3-methylbut-2-enyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2CC=C(C)C)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2CC=C(C)C)C(=O)O

InChI

InChI=1S/C28H35NO4/c1-4-5-16-32-17-18-33-25-12-10-22(11-13-25)27-20-24(28(30)31)19-23-8-6-7-9-26(23)29(27)15-14-21(2)3/h6-14,19,27H,4-5,15-18,20H2,1-3H3,(H,30,31)