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

Systemtic Name: methyl 1-butyl-2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-3-carboxylate Openeye Name: methyl 1-butyl-2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-3-carboxylate CAS Name: 1-butyl-2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-butyl-2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-3-carboxylate Traditional Name: 1-butyl-2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-3-carboxylic acid methyl ester Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1C)C(=O)OC)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C(=C(C(=C1C)C(=O)OC)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C26H28N2O2/c1-5-6-16-28-17(2)22(23(18(28)3)26(29)30-4)24-20-14-10-11-15-21(20)27-25(24)19-12-8-7-9-13-19/h7-15,27H,5-6,16H2,1-4H3