methyl 1-[(6-bromanyl-2H-chromen-3-yl)carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(6-bromanyl-2H-chromen-3-yl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(6-bromo-2H-chromene-3-carbonyl)amino]cyclohexanecarboxylate CAS Name: 1-[[(6-bromo-2H-1-benzopyran-3-yl)-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-bromo-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[(6-bromo-2H-chromene-3-carbonyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2

InChI

InChI=1S/C18H20BrNO4/c1-23-17(22)18(7-3-2-4-8-18)20-16(21)13-9-12-10-14(19)5-6-15(12)24-11-13/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,20,21)