methyl 4-(5-chloranyl-2-phenyl-1H-indol-3-yl)-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-(5-chloranyl-2-phenyl-1H-indol-3-yl)-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-benzyl-4-(5-chloro-2-phenyl-1H-indol-3-yl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(5-chloro-2-phenyl-1H-indol-3-yl)-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-(5-chloro-2-phenyl-1H-indol-3-yl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-4-(5-chloro-2-phenyl-1H-indol-3-yl)-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C29H25ClN2O2 MolecularWeight: 468.974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)OC)C3=C(NC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)OC)C3=C(NC4=C3C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H25ClN2O2/c1-18-25(26(29(33)34-3)19(2)32(18)17-20-10-6-4-7-11-20)27-23-16-22(30)14-15-24(23)31-28(27)21-12-8-5-9-13-21/h4-16,31H,17H2,1-3H3