methyl 4-(1-ethoxy-1-oxidanylidene-butan-2-yl)-3-oxidanylidene-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 4-(1-ethoxy-1-oxidanylidene-butan-2-yl)-3-oxidanylidene-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 8-benzyl-4-(1-ethoxycarbonylpropyl)-3-oxo-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 4-(1-ethoxy-1-oxobutan-2-yl)-3-oxo-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 8-benzyl-4-(1-ethoxy-1-oxobutan-2-yl)-3-oxo-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 8-benzyl-4-(1-carbethoxypropyl)-3-keto-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)C1(C2CCC(N2CC3=CC=CC=C3)CC1=O)C(=O)OC

Isomeric SMILES

CCC(C(=O)OCC)C1(C2CCC(N2CC3=CC=CC=C3)CC1=O)C(=O)OC

InChI

InChI=1S/C22H29NO5/c1-4-17(20(25)28-5-2)22(21(26)27-3)18-12-11-16(13-19(22)24)23(18)14-15-9-7-6-8-10-15/h6-10,16-18H,4-5,11-14H2,1-3H3