[3-(4-bromanylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [3-(4-bromanylphenoxy)-4-oxidanylidene-chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: [3-(4-bromophenoxy)-4-oxo-chromen-7-yl] 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid [3-(4-bromophenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-bromophenoxy)-4-oxochromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid [3-(4-bromophenoxy)-4-keto-chromen-7-yl] ester Formula: C26H20BrNO7 MolecularWeight: 538.3435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H20BrNO7/c27-18-6-8-19(9-7-18)34-23-16-32-22-14-20(10-11-21(22)25(23)30)35-24(29)12-13-28-26(31)33-15-17-4-2-1-3-5-17/h1-11,14,16H,12-13,15H2,(H,28,31)