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

Systemtic Name: 2-[3-(tert-butylamino)-8-methyl-2-oxidanylidene-5-propan-2-yl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(tert-butylamino)-5-isopropyl-8-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(tert-butylamino)-8-methyl-2-oxo-5-propan-2-yl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-(tert-butylamino)-8-methyl-2-oxo-5-propan-2-yl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-(tert-butylamino)-5-isopropyl-2-keto-8-methyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C20H30N2O3 MolecularWeight: 346.4638

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-12(2)15-10-16(21-20(4,5)6)19(25)22(11-18(23)24)17-9-13(3)7-8-14(15)17/h7-9,12,15-16,21H,10-11H2,1-6H3,(H,23,24)