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

Systemtic Name: ethyl 1-butyl-2,5-dimethyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O2/c1-5-7-17-29-18(3)23(24(19(29)4)27(30)31-6-2)25-21-15-11-12-16-22(21)28-26(25)20-13-9-8-10-14-20/h8-16,28H,5-7,17H2,1-4H3