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

Systemtic Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-methyl-3-pyrazolyl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 7-[4-(1-butoxyethoxy)phenyl]-1-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CC=NN4C

Isomeric SMILES

CCCCOC(C)OC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)O)CC4=CC=NN4C

InChI

InChI=1S/C28H33N3O4/c1-4-5-16-34-20(2)35-26-9-6-21(7-10-26)22-8-11-27-24(17-22)18-23(28(32)33)13-15-31(27)19-25-12-14-29-30(25)3/h6-12,14,17-18,20H,4-5,13,15-16,19H2,1-3H3,(H,32,33)