[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate

Systemtic Name: [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C17H23BrN2O3 MolecularWeight: 383.28012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C17H23BrN2O3/c1-10-4-3-5-15(11(10)2)20-16(21)9-23-17(22)13-8-12(18)6-7-14(13)19/h6-8,10-11,15H,3-5,9,19H2,1-2H3,(H,20,21)/t10-,11-,15-/m1/s1