(phenylmethyl) (2S,3R)-3-oxidanyl-2-[2-[(4-oxidanylidenequinazolin-3-yl)methyl]prop-2-enyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R)-3-oxidanyl-2-[2-[(4-oxidanylidenequinazolin-3-yl)methyl]prop-2-enyl]piperidine-1-carboxylate Openeye Name: benzyl (2S,3R)-3-hydroxy-2-[2-[(4-oxoquinazolin-3-yl)methyl]allyl]piperidine-1-carboxylate CAS Name: (2S,3R)-3-hydroxy-2-[2-[(4-oxo-3-quinazolinyl)methyl]prop-2-enyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-hydroxy-2-[2-[(4-oxoquinazolin-3-yl)methyl]prop-2-enyl]piperidine-1-carboxylate Traditional Name: (2S,3R)-3-hydroxy-2-[2-[(4-ketoquinazolin-3-yl)methyl]allyl]piperidine-1-carboxylic acid benzyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CC1C(CCCN1C(=O)OCC2=CC=CC=C2)O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C=C(C[C@H]1[C@@H](CCCN1C(=O)OCC2=CC=CC=C2)O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H27N3O4/c1-18(15-27-17-26-21-11-6-5-10-20(21)24(27)30)14-22-23(29)12-7-13-28(22)25(31)32-16-19-8-3-2-4-9-19/h2-6,8-11,17,22-23,29H,1,7,12-16H2/t22-,23+/m0/s1