[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C19H18BrNO4/c1-24-15-7-8-17(20)16(10-15)19(23)25-11-18(22)21-14-6-5-12-3-2-4-13(12)9-14/h5-10H,2-4,11H2,1H3,(H,21,22)