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

Systemtic Name: methyl 5-bromanyl-3-(2-phenylbutanoylamino)-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-(2-phenylbutanoylamino)-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[(1-oxo-2-phenylbutyl)amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-(2-phenylbutanoylamino)-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(2-phenylbutanoylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C20H19BrN2O3/c1-3-14(12-7-5-4-6-8-12)19(24)23-17-15-11-13(21)9-10-16(15)22-18(17)20(25)26-2/h4-11,14,22H,3H2,1-2H3,(H,23,24)