methyl (2R,5R,6R,7R)-7-[2,6-bis(chloranyl)phenyl]-2-(4-methoxycarbonylphenyl)-4-oxidanylidene-5-phenyl-1,3-diazabicyclo[4.1.0]heptane-6-carboxylate

Systemtic Name: methyl (2R,5R,6R,7R)-7-[2,6-bis(chloranyl)phenyl]-2-(4-methoxycarbonylphenyl)-4-oxidanylidene-5-phenyl-1,3-diazabicyclo[4.1.0]heptane-6-carboxylate Openeye Name: methyl (2R,5R,6R,7R)-7-(2,6-dichlorophenyl)-2-(4-methoxycarbonylphenyl)-4-oxo-5-phenyl-1,3-diazabicyclo[4.1.0]heptane-6-carboxylate CAS Name: (2R,5R,6R,7R)-7-(2,6-dichlorophenyl)-2-(4-methoxycarbonylphenyl)-4-oxo-5-phenyl-1,3-diazabicyclo[4.1.0]heptane-6-carboxylic acid methyl ester IUPAC Name: methyl (2R,5R,6R,7R)-7-(2,6-dichlorophenyl)-2-(4-methoxycarbonylphenyl)-4-oxo-5-phenyl-1,3-diazabicyclo[4.1.0]heptane-6-carboxylate Traditional Name: (2R,5R,6R,7R)-2-(4-carbomethoxyphenyl)-7-(2,6-dichlorophenyl)-4-keto-5-phenyl-1,3-diazabicyclo[4.1.0]heptane-6-carboxylic acid methyl ester Formula: C27H22Cl2N2O5 MolecularWeight: 525.37998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2NC(=O)C(C3(N2C3C4=C(C=CC=C4Cl)Cl)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@@H]2NC(=O)[C@@H]([C@]3(N2[C@@H]3C4=C(C=CC=C4Cl)Cl)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C27H22Cl2N2O5/c1-35-25(33)17-13-11-16(12-14-17)23-30-24(32)21(15-7-4-3-5-8-15)27(26(34)36-2)22(31(23)27)20-18(28)9-6-10-19(20)29/h3-14,21-23H,1-2H3,(H,30,32)/t21-,22+,23+,27+,31?/m0/s1