2-ethyl-4-[(1,3,3-trimethyl-2-oxidanylidene-4,5-dihydro-1-benzazepin-7-yl)carbonylamino]benzoic acid

Systemtic Name: 2-ethyl-4-[(1,3,3-trimethyl-2-oxidanylidene-4,5-dihydro-1-benzazepin-7-yl)carbonylamino]benzoic acid Openeye Name: 2-ethyl-4-[(1,3,3-trimethyl-2-oxo-4,5-dihydro-1-benzazepine-7-carbonyl)amino]benzoic acid CAS Name: 2-ethyl-4-[[oxo-(1,3,3-trimethyl-2-oxo-4,5-dihydro-1-benzazepin-7-yl)methyl]amino]benzoic acid IUPAC Name: 2-ethyl-4-[(1,3,3-trimethyl-2-oxo-4,5-dihydro-1-benzazepine-7-carbonyl)amino]benzoic acid Traditional Name: 2-ethyl-4-[(2-keto-1,3,3-trimethyl-4,5-dihydro-1-benzazepine-7-carbonyl)amino]benzoic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)N(C(=O)C(CC3)(C)C)C)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)N(C(=O)C(CC3)(C)C)C)C(=O)O

InChI

InChI=1S/C23H26N2O4/c1-5-14-13-17(7-8-18(14)21(27)28)24-20(26)16-6-9-19-15(12-16)10-11-23(2,3)22(29)25(19)4/h6-9,12-13H,5,10-11H2,1-4H3,(H,24,26)(H,27,28)