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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclobutylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclobutylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclobutylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclobutylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(cyclobutylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C28H35NO4 MolecularWeight: 449.5818

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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)CC4CCC4

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4CCC4

InChI

InChI=1S/C28H35NO4/c1-2-3-15-32-16-17-33-26-10-7-22(8-11-26)23-9-12-27-25(18-23)19-24(28(30)31)13-14-29(27)20-21-5-4-6-21/h7-12,18-19,21H,2-6,13-17,20H2,1H3,(H,30,31)