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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

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