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

Systemtic Name: methyl 5-bromanyl-3-(3-cyclopentylpropanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-(3-cyclopentylpropanoylamino)-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[(3-cyclopentyl-1-oxopropyl)amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-(3-cyclopentylpropanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(3-cyclopentylpropanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCC3CCCC3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCC3CCCC3

InChI

InChI=1S/C18H21BrN2O3/c1-24-18(23)17-16(13-10-12(19)7-8-14(13)20-17)21-15(22)9-6-11-4-2-3-5-11/h7-8,10-11,20H,2-6,9H2,1H3,(H,21,22)