[2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-[(1-methoxycarbonyl-3-methyl-butyl)amino]-2-oxo-ethyl] 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid [2-[(1-carbomethoxy-3-methyl-butyl)amino]-2-keto-ethyl] ester Formula: C19H26BrNO7 MolecularWeight: 460.31624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC(CC(C)C)C(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NC(CC(C)C)C(=O)OC)OC

InChI

InChI=1S/C19H26BrNO7/c1-6-27-17-13(20)8-12(9-15(17)25-4)18(23)28-10-16(22)21-14(7-11(2)3)19(24)26-5/h8-9,11,14H,6-7,10H2,1-5H3,(H,21,22)