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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(3-methylbut-2-enyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(3-methylbut-2-enyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(3-methylbut-2-enyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(3-methylbut-2-enyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[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)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC=C(C)C

Isomeric SMILES

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

InChI

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