methyl 5-bromanyl-3-(3,3-diphenylpropanoylamino)-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-(3,3-diphenylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-(3,3-diphenylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[(1-oxo-3,3-diphenylpropyl)amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-(3,3-diphenylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(3,3-diphenylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C25H21BrN2O3 MolecularWeight: 477.34984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21BrN2O3/c1-31-25(30)24-23(20-14-18(26)12-13-21(20)27-24)28-22(29)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19,27H,15H2,1H3,(H,28,29)