[3-(4-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [3-(4-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: [3-(4-bromophenoxy)-2-methyl-4-oxo-chromen-7-yl] 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic acid [3-(4-bromophenoxy)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-bromophenoxy)-2-methyl-4-oxochromen-7-yl] 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid [3-(4-bromophenoxy)-4-keto-2-methyl-chromen-7-yl] ester Formula: C27H22BrNO7 MolecularWeight: 552.37008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCNC(=O)OCC3=CC=CC=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCNC(=O)OCC3=CC=CC=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C27H22BrNO7/c1-17-26(36-20-9-7-19(28)8-10-20)25(31)22-12-11-21(15-23(22)34-17)35-24(30)13-14-29-27(32)33-16-18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3,(H,29,32)