tert-butyl 5-bromanyl-2-[5-[(3-hydroxyphenyl)methylamino]pyridin-3-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-2-[5-[(3-hydroxyphenyl)methylamino]pyridin-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 5-bromo-2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridyl]indole-1-carboxylate CAS Name: 5-bromo-2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-2-[5-[(3-hydroxyphenyl)methylamino]pyridin-3-yl]indole-1-carboxylate Traditional Name: 5-bromo-2-[5-[(3-hydroxybenzyl)amino]-3-pyridyl]indole-1-carboxylic acid tert-butyl ester Formula: C25H24BrN3O3 MolecularWeight: 494.38036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)C=C1C3=CC(=CN=C3)NCC4=CC(=CC=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)C=C1C3=CC(=CN=C3)NCC4=CC(=CC=C4)O

InChI

InChI=1S/C25H24BrN3O3/c1-25(2,3)32-24(31)29-22-8-7-19(26)10-17(22)12-23(29)18-11-20(15-27-14-18)28-13-16-5-4-6-21(30)9-16/h4-12,14-15,28,30H,13H2,1-3H3