2-[[2,5-bis(oxidanylidene)-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1-benzazepin-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[2,5-bis(oxidanylidene)-1-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1-benzazepin-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[1-(2-benzyloxy-2-oxo-ethyl)-2,5-dioxo-1-benzazepin-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[2,5-dioxo-1-(2-oxo-2-phenylmethoxyethyl)-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[2,5-dioxo-1-(2-oxo-2-phenylmethoxyethyl)-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-(2-benzoxy-2-keto-ethyl)-2,5-diketo-1-benzazepin-3-yl]amino]-4-phenyl-butyric acid Formula: C29H26N2O6 MolecularWeight: 498.52654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NC2=CC(=O)C3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)NC2=CC(=O)C3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H26N2O6/c32-26-17-24(30-23(29(35)36)16-15-20-9-3-1-4-10-20)28(34)31(25-14-8-7-13-22(25)26)18-27(33)37-19-21-11-5-2-6-12-21/h1-14,17,23,30H,15-16,18-19H2,(H,35,36)