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

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2CC#CC)C(=O)O

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3N2CC#CC)C(=O)O

InChI

InChI=1S/C27H31NO4/c1-3-5-15-28-25-10-8-7-9-22(25)19-23(27(29)30)20-26(28)21-11-13-24(14-12-21)32-18-17-31-16-6-4-2/h7-14,19,26H,4,6,15-18,20H2,1-2H3,(H,29,30)