methyl 4-azanyl-5-oxidanyl-3-[3-oxidanylidene-4-phenyl-1,2-bis(phenylmethoxy)butyl]cyclohexene-1-carboxylate

Systemtic Name: methyl 4-azanyl-5-oxidanyl-3-[3-oxidanylidene-4-phenyl-1,2-bis(phenylmethoxy)butyl]cyclohexene-1-carboxylate Openeye Name: methyl 4-amino-3-(1,2-dibenzyloxy-3-oxo-4-phenyl-butyl)-5-hydroxy-cyclohexene-1-carboxylate CAS Name: 4-amino-5-hydroxy-3-[3-oxo-4-phenyl-1,2-bis(phenylmethoxy)butyl]-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-hydroxy-3-[3-oxo-4-phenyl-1,2-bis(phenylmethoxy)butyl]cyclohexene-1-carboxylate Traditional Name: 4-amino-3-(1,2-dibenzoxy-3-keto-4-phenyl-butyl)-5-hydroxy-cyclohexene-1-carboxylic acid methyl ester Formula: C32H35NO6 MolecularWeight: 529.6234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C(C(C1)O)N)C(C(C(=O)CC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(C(C(C1)O)N)C(C(C(=O)CC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C32H35NO6/c1-37-32(36)25-18-26(29(33)27(34)19-25)30(38-20-23-13-7-3-8-14-23)31(39-21-24-15-9-4-10-16-24)28(35)17-22-11-5-2-6-12-22/h2-16,18,26-27,29-31,34H,17,19-21,33H2,1H3