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

Systemtic Name: 2-[3-(tert-butylamino)-7-methyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(tert-butylamino)-7-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(tert-butylamino)-7-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-(tert-butylamino)-7-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-(tert-butylamino)-2-keto-7-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)N(C(=O)C(CC2C3=CC=CC=C3)NC(C)(C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(CC2C3=CC=CC=C3)NC(C)(C)C)CC(=O)O

InChI

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