1-(2-methylpropyl)-2-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 1-(2-methylpropyl)-2-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 1-isobutyl-2-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 1-(2-methylpropyl)-2-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 1-(2-methylpropyl)-2-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 1-isobutyl-2-phenyl-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(CC(=CC2=CC=CC=C21)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(CC(=CC2=CC=CC=C21)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO2/c1-15(2)14-22-19-11-7-6-10-17(19)12-18(21(23)24)13-20(22)16-8-4-3-5-9-16/h3-12,15,20H,13-14H2,1-2H3,(H,23,24)