methyl 3-[(3-bromanyl-1-adamantyl)carbonylamino]-5-chloranyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[(3-bromanyl-1-adamantyl)carbonylamino]-5-chloranyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-chloro-1H-indole-2-carboxylate CAS Name: 3-[[(3-bromo-1-adamantyl)-oxomethyl]amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-chloro-1H-indole-2-carboxylate Traditional Name: 3-[(3-bromoadamantane-1-carbonyl)amino]-5-chloro-1H-indole-2-carboxylic acid methyl ester Formula: C21H22BrClN2O3 MolecularWeight: 465.76798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C21H22BrClN2O3/c1-28-18(26)17-16(14-5-13(23)2-3-15(14)24-17)25-19(27)20-6-11-4-12(7-20)9-21(22,8-11)10-20/h2-3,5,11-12,24H,4,6-10H2,1H3,(H,25,27)