(11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) (2S)-2-acetyloxy-2-phenyl-ethanoate

Systemtic Name: (11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) (2S)-2-acetyloxy-2-phenyl-ethanoate Openeye Name: (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) (2S)-2-acetoxy-2-phenyl-acetate CAS Name: (2S)-2-acetyloxy-2-phenylacetic acid (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) ester IUPAC Name: (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) (2S)-2-acetyloxy-2-phenylacetate Traditional Name: (2S)-2-acetoxy-2-phenyl-acetic acid (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=O)OC2CC3=CC=CC=C3N(C4=CC=CC=C24)C(=O)N

Isomeric SMILES

CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)OC2CC3=CC=CC=C3N(C4=CC=CC=C24)C(=O)N

InChI

InChI=1S/C25H22N2O5/c1-16(28)31-23(17-9-3-2-4-10-17)24(29)32-22-15-18-11-5-7-13-20(18)27(25(26)30)21-14-8-6-12-19(21)22/h2-14,22-23H,15H2,1H3,(H2,26,30)/t22?,23-/m0/s1