1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-butyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)OCCOCCC)C(=O)O

Isomeric SMILES

CCCCN1CCC(=CC2=C1C=CC(=C2)C3=CC=C(C=C3)OCCOCCC)C(=O)O

InChI

InChI=1S/C26H33NO4/c1-3-5-13-27-14-12-22(26(28)29)19-23-18-21(8-11-25(23)27)20-6-9-24(10-7-20)31-17-16-30-15-4-2/h6-11,18-19H,3-5,12-17H2,1-2H3,(H,28,29)