ethyl (1R,3R,8aR)-3-(4-bromophenyl)carbonyl-5-pyridin-2-yl-1,2,3,8a-tetrahydroindolizine-1-carboxylate

Systemtic Name: ethyl (1R,3R,8aR)-3-(4-bromophenyl)carbonyl-5-pyridin-2-yl-1,2,3,8a-tetrahydroindolizine-1-carboxylate Openeye Name: ethyl (1R,3R,8aR)-3-(4-bromobenzoyl)-5-(2-pyridyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylate CAS Name: (1R,3R,8aR)-3-[(4-bromophenyl)-oxomethyl]-5-(2-pyridinyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,3R,8aR)-3-(4-bromobenzoyl)-5-pyridin-2-yl-1,2,3,8a-tetrahydroindolizine-1-carboxylate Traditional Name: (1R,3R,8aR)-3-(4-bromobenzoyl)-5-(2-pyridyl)-1,2,3,8a-tetrahydroindolizine-1-carboxylic acid ethyl ester Formula: C23H21BrN2O3 MolecularWeight: 453.32844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N2C1C=CC=C2C3=CC=CC=N3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@@H](N2[C@@H]1C=CC=C2C3=CC=CC=N3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN2O3/c1-2-29-23(28)17-14-21(22(27)15-9-11-16(24)12-10-15)26-19(17)7-5-8-20(26)18-6-3-4-13-25-18/h3-13,17,19,21H,2,14H2,1H3/t17-,19-,21-/m1/s1