tert-butyl 2-bromanyl-3-(2-piperidin-1-ylpropyl)indole-1-carboxylate

Systemtic Name: tert-butyl 2-bromanyl-3-(2-piperidin-1-ylpropyl)indole-1-carboxylate Openeye Name: tert-butyl 2-bromo-3-[2-(1-piperidyl)propyl]indole-1-carboxylate CAS Name: 2-bromo-3-[2-(1-piperidinyl)propyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-bromo-3-(2-piperidin-1-ylpropyl)indole-1-carboxylate Traditional Name: 2-bromo-3-(2-piperidinopropyl)indole-1-carboxylic acid tert-butyl ester Formula: C21H29BrN2O2 MolecularWeight: 421.37116

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)Br)N3CCCCC3

Isomeric SMILES

CC(CC1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)Br)N3CCCCC3

InChI

InChI=1S/C21H29BrN2O2/c1-15(23-12-8-5-9-13-23)14-17-16-10-6-7-11-18(16)24(19(17)22)20(25)26-21(2,3)4/h6-7,10-11,15H,5,8-9,12-14H2,1-4H3