methyl 2-[2-[(4-bromophenyl)amino]ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[2-[(4-bromophenyl)amino]ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(4-bromoanilino)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(4-bromoanilino)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromoanilino)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(4-bromoanilino)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O3/c1-27-20(26)18(10-13-11-23-17-5-3-2-4-16(13)17)24-19(25)12-22-15-8-6-14(21)7-9-15/h2-9,11,18,22-23H,10,12H2,1H3,(H,24,25)