2-[3-(tert-butylamino)-7-chloranyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(tert-butylamino)-7-chloranyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(tert-butylamino)-7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(tert-butylamino)-7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-(tert-butylamino)-7-chloro-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-(tert-butylamino)-7-chloro-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1CC(C2=C(C=CC(=C2)Cl)N(C1=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC1CC(C2=C(C=CC(=C2)Cl)N(C1=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O3/c1-22(2,3)24-18-12-16(14-7-5-4-6-8-14)17-11-15(23)9-10-19(17)25(21(18)28)13-20(26)27/h4-11,16,18,24H,12-13H2,1-3H3,(H,26,27)