[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C15H18BrNO4 MolecularWeight: 356.21172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

C[C@H](C1CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C15H18BrNO4/c1-9(10-3-4-10)17-14(18)8-21-15(19)11-5-6-13(20-2)12(16)7-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,18)/t9-/m1/s1