ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-[(pyridin-4-ylamino)methyl]indole-3-carboxylate hydrobromide

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-[(pyridin-4-ylamino)methyl]indole-3-carboxylate hydrobromide Openeye Name: ethyl 5-acetoxy-6-bromo-1-methyl-2-[(4-pyridylamino)methyl]indole-3-carboxylate hydrobromide CAS Name: 5-acetyloxy-6-bromo-1-methyl-2-[(pyridin-4-ylamino)methyl]-3-indolecarboxylic acid ethyl ester hydrobromide IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-methyl-2-[(pyridin-4-ylamino)methyl]indole-3-carboxylate hydrobromide Traditional Name: 5-acetoxy-6-bromo-1-methyl-2-[(4-pyridylamino)methyl]indole-3-carboxylic acid ethyl ester hydrobromide Formula: C20H21Br2N3O4 MolecularWeight: 527.20644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CNC3=CC=NC=C3.Br

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CNC3=CC=NC=C3.Br

InChI

InChI=1S/C20H20BrN3O4.BrH/c1-4-27-20(26)19-14-9-18(28-12(2)25)15(21)10-16(14)24(3)17(19)11-23-13-5-7-22-8-6-13;/h5-10H,4,11H2,1-3H3,(H,22,23);1H