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

Systemtic Name: 3-[2-dimethylaminoethyl(methyl)amino]-7-oxidanylidene-6-(1-oxidanyl-3-phenyl-propyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[2-dimethylaminoethyl(methyl)amino]-6-(1-hydroxy-3-phenyl-propyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 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 IUPAC Name: 3-[2-dimethylaminoethyl(methyl)amino]-6-(1-hydroxy-3-phenylpropyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 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 Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-22(2)11-12-23(3)16-13-15-18(20(26)24(15)19(16)21(27)28)17(25)10-9-14-7-5-4-6-8-14/h4-8,15,17-18,25H,9-13H2,1-3H3,(H,27,28)