2-[(3S)-3-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azaniumyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azaniumyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: 2-[(3S)-3-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]ammonio]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]ammonio]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate IUPAC Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[(3S)-3-[[(1S)-1-carbethoxy-3-phenyl-propyl]ammonio]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)[NH2+]C2CCC3=CC=CC=C3N(C2=O)CC(=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)[NH2+][C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)[O-]

InChI

InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1