ethyl 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]-3-methanoyl-indolizine-1-carboxylate

Systemtic Name: ethyl 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]-3-methanoyl-indolizine-1-carboxylate Openeye Name: ethyl 2-[5-(1,1-dimethylpropyl)-2-ethoxy-phenyl]-3-formyl-indolizine-1-carboxylate CAS Name: 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]-3-formyl-1-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]-3-formylindolizine-1-carboxylate Traditional Name: 2-(5-tert-amyl-2-ethoxy-phenyl)-3-formyl-indolizine-1-carboxylic acid ethyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCC)C2=C(N3C=CC=CC3=C2C(=O)OCC)C=O

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCC)C2=C(N3C=CC=CC3=C2C(=O)OCC)C=O

InChI

InChI=1S/C25H29NO4/c1-6-25(4,5)17-12-13-21(29-7-2)18(15-17)22-20(16-27)26-14-10-9-11-19(26)23(22)24(28)30-8-3/h9-16H,6-8H2,1-5H3