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

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C20H22BrNO4/c1-3-7-17(14-8-5-4-6-9-14)22-19(23)13-26-20(24)15-10-11-18(25-2)16(21)12-15/h4-6,8-12,17H,3,7,13H2,1-2H3,(H,22,23)/t17-/m1/s1