2-[3-(tert-butylamino)-8-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(tert-butylamino)-8-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(tert-butylamino)-8-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(tert-butylamino)-8-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-(tert-butylamino)-8-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-(tert-butylamino)-2-keto-8-methyl-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)NC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)NC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-15-10-11-17-18(16-8-6-5-7-9-16)13-19(24-23(2,3)4)22(28)25(14-21(26)27)20(17)12-15/h5-12,18-19,24H,13-14H2,1-4H3,(H,26,27)