1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-7-[4-(2-butoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C30H31NO6 MolecularWeight: 501.57024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H31NO6/c1-2-3-14-34-15-16-35-26-8-4-21(5-9-26)22-6-10-27-24(17-22)18-23(30(32)33)12-13-31(27)25-7-11-28-29(19-25)37-20-36-28/h4-11,17-19H,2-3,12-16,20H2,1H3,(H,32,33)