methyl 1-[(2-bromanyl-3-cyclopentyl-1-methyl-indol-6-yl)carbonylamino]cyclobutane-1-carboxylate

Systemtic Name: methyl 1-[(2-bromanyl-3-cyclopentyl-1-methyl-indol-6-yl)carbonylamino]cyclobutane-1-carboxylate Openeye Name: methyl 1-[(2-bromo-3-cyclopentyl-1-methyl-indole-6-carbonyl)amino]cyclobutanecarboxylate CAS Name: 1-[[(2-bromo-3-cyclopentyl-1-methyl-6-indolyl)-oxomethyl]amino]-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-bromo-3-cyclopentyl-1-methylindole-6-carbonyl)amino]cyclobutane-1-carboxylate Traditional Name: 1-[(2-bromo-3-cyclopentyl-1-methyl-indole-6-carbonyl)amino]cyclobutanecarboxylic acid methyl ester Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC3(CCC3)C(=O)OC)C(=C1Br)C4CCCC4

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC3(CCC3)C(=O)OC)C(=C1Br)C4CCCC4

InChI

InChI=1S/C21H25BrN2O3/c1-24-16-12-14(19(25)23-21(10-5-11-21)20(26)27-2)8-9-15(16)17(18(24)22)13-6-3-4-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,23,25)