methyl 5-bromanyl-3-[[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoyl]amino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[(2S)-2-[(3S)-3-methyl-1-piperidyl]propanoyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[(2S)-2-[(3S)-3-methyl-1-piperidinyl]-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[(2S)-2-[(3S)-3-methylpiperidino]propanoyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C19H24BrN3O3 MolecularWeight: 422.31616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(C)C(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

C[C@H]1CCCN(C1)[C@@H](C)C(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C19H24BrN3O3/c1-11-5-4-8-23(10-11)12(2)18(24)22-16-14-9-13(20)6-7-15(14)21-17(16)19(25)26-3/h6-7,9,11-12,21H,4-5,8,10H2,1-3H3,(H,22,24)/t11-,12-/m0/s1