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

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-1-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-1-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-1-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-1-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-[4-(2-butoxyethoxy)phenyl]-1-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO4/c1-2-3-17-33-18-19-34-26-15-13-22(14-16-26)28-21-24(29(31)32)20-23-9-7-8-12-27(23)30(28)25-10-5-4-6-11-25/h4-16,20,28H,2-3,17-19,21H2,1H3,(H,31,32)