(phenylmethyl) (2R,3S)-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]-3-phenylmethoxy-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,3S)-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanylidene-propyl]-3-phenylmethoxy-piperidine-1-carboxylate Openeye Name: benzyl (2R,3S)-3-benzyloxy-2-[3-(7-bromo-6-chloro-4-oxo-quinazolin-3-yl)-2-oxo-propyl]piperidine-1-carboxylate CAS Name: (2R,3S)-2-[3-(7-bromo-6-chloro-4-oxo-3-quinazolinyl)-2-oxopropyl]-3-phenylmethoxy-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3S)-2-[3-(7-bromo-6-chloro-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-phenylmethoxypiperidine-1-carboxylate Traditional Name: (2R,3S)-3-benzoxy-2-[3-(7-bromo-6-chloro-4-keto-quinazolin-3-yl)-2-keto-propyl]piperidine-1-carboxylic acid benzyl ester Formula: C31H29BrClN3O5 MolecularWeight: 638.93606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)OCC2=CC=CC=C2)CC(=O)CN3C=NC4=CC(=C(C=C4C3=O)Cl)Br)OCC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H]([C@H](N(C1)C(=O)OCC2=CC=CC=C2)CC(=O)CN3C=NC4=CC(=C(C=C4C3=O)Cl)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C31H29BrClN3O5/c32-25-16-27-24(15-26(25)33)30(38)35(20-34-27)17-23(37)14-28-29(40-18-21-8-3-1-4-9-21)12-7-13-36(28)31(39)41-19-22-10-5-2-6-11-22/h1-6,8-11,15-16,20,28-29H,7,12-14,17-19H2/t28-,29+/m1/s1