7-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-but-2-ynyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[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)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC#CC

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC#CC

InChI

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