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

Systemtic Name: methyl 3-[(3-bromanyl-1-adamantyl)carbonylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[(3-bromo-1-adamantyl)-oxomethyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[(3-bromoadamantane-1-carbonyl)amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C34CC5CC(C3)CC(C5)(C4)Br)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C34CC5CC(C3)CC(C5)(C4)Br)C(=O)OC

InChI

InChI=1S/C22H25BrN2O3/c1-12-3-4-16-15(5-12)17(18(24-16)19(26)28-2)25-20(27)21-7-13-6-14(8-21)10-22(23,9-13)11-21/h3-5,13-14,24H,6-11H2,1-2H3,(H,25,27)