ethyl 5-bromanyl-3-[2-[(phenylmethyl)amino]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[2-[(phenylmethyl)amino]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(benzylamino)acetyl]amino]-5-bromo-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(benzylamino)acetyl]amino]-5-bromo-1H-indole-2-carboxylate Traditional Name: 3-[[2-(benzylamino)acetyl]amino]-5-bromo-1H-indole-2-carboxylic acid ethyl ester Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CNCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CNCC3=CC=CC=C3

InChI

InChI=1S/C20H20BrN3O3/c1-2-27-20(26)19-18(15-10-14(21)8-9-16(15)23-19)24-17(25)12-22-11-13-6-4-3-5-7-13/h3-10,22-23H,2,11-12H2,1H3,(H,24,25)