3-[(6S)-1-oxidanyl-4-oxidanylidene-6-phenylmethoxycarbonyl-6,7,8,9-tetrahydroquinolizin-3-yl]propanoic acid

Systemtic Name: 3-[(6S)-1-oxidanyl-4-oxidanylidene-6-phenylmethoxycarbonyl-6,7,8,9-tetrahydroquinolizin-3-yl]propanoic acid Openeye Name: 3-[(6S)-6-benzyloxycarbonyl-1-hydroxy-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl]propanoic acid CAS Name: 3-[(6S)-1-hydroxy-4-oxo-6-phenylmethoxycarbonyl-6,7,8,9-tetrahydroquinolizin-3-yl]propanoic acid IUPAC Name: 3-[(6S)-1-hydroxy-4-oxo-6-phenylmethoxycarbonyl-6,7,8,9-tetrahydroquinolizin-3-yl]propanoic acid Traditional Name: 3-[(6S)-6-carbobenzoxy-1-hydroxy-4-keto-6,7,8,9-tetrahydroquinolizin-3-yl]propionic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C(=C(C=C(C2=O)CCC(=O)O)O)C1)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C[C@H](N2C(=C(C=C(C2=O)CCC(=O)O)O)C1)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO6/c22-17-11-14(9-10-18(23)24)19(25)21-15(17)7-4-8-16(21)20(26)27-12-13-5-2-1-3-6-13/h1-3,5-6,11,16,22H,4,7-10,12H2,(H,23,24)/t16-/m0/s1