(phenylmethyl) 3-[2-dimethylaminoethyl(methyl)amino]-7-oxidanylidene-6-(1-oxidanyl-3-phenyl-propyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-dimethylaminoethyl(methyl)amino]-7-oxidanylidene-6-(1-oxidanyl-3-phenyl-propyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 3-[2-dimethylaminoethyl(methyl)amino]-6-(1-hydroxy-3-phenyl-propyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[2-dimethylaminoethyl(methyl)amino]-6-(1-hydroxy-3-phenylpropyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-dimethylaminoethyl(methyl)amino]-6-(1-hydroxy-3-phenylpropyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[2-dimethylaminoethyl(methyl)amino]-6-(1-hydroxy-3-phenyl-propyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C)C1=C(N2C(C1)C(C2=O)C(CCC3=CC=CC=C3)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN(C)CCN(C)C1=C(N2C(C1)C(C2=O)C(CCC3=CC=CC=C3)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O4/c1-29(2)16-17-30(3)23-18-22-25(24(32)15-14-20-10-6-4-7-11-20)27(33)31(22)26(23)28(34)35-19-21-12-8-5-9-13-21/h4-13,22,24-25,32H,14-19H2,1-3H3