[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-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] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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