dimethyl 2-chloranyl-5-(diphenylmethyl)-1-phenyl-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-chloranyl-5-(diphenylmethyl)-1-phenyl-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-benzhydryl-5-chloro-1-phenyl-pyrrole-3,4-dicarboxylate CAS Name: 2-chloro-5-(diphenylmethyl)-1-phenylpyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-benzhydryl-5-chloro-1-phenylpyrrole-3,4-dicarboxylate Traditional Name: 2-benzhydryl-5-chloro-1-phenyl-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C27H22ClNO4 MolecularWeight: 459.92088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=C1C(=O)OC)Cl)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(N(C(=C1C(=O)OC)Cl)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H22ClNO4/c1-32-26(30)22-23(27(31)33-2)25(28)29(20-16-10-5-11-17-20)24(22)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21H,1-2H3