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

Systemtic Name: 2-[3-(tert-butylamino)-8-ethyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(tert-butylamino)-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(tert-butylamino)-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-(tert-butylamino)-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-(tert-butylamino)-8-ethyl-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)NC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)NC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3/c1-5-16-11-12-18-19(17-9-7-6-8-10-17)14-20(25-24(2,3)4)23(29)26(15-22(27)28)21(18)13-16/h6-13,19-20,25H,5,14-15H2,1-4H3,(H,27,28)