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

Systemtic Name: methyl 2-[[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[4-(4-bromophenyl)-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[4-(4-bromophenyl)-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[4-(4-bromophenyl)-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O4/c1-29-22(28)19(12-15-13-24-18-5-3-2-4-17(15)18)25-21(27)11-10-20(26)14-6-8-16(23)9-7-14/h2-9,13,19,24H,10-12H2,1H3,(H,25,27)