(3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic acid (3-bromo-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (3-bromo-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) ester Formula: C23H23BrN2O5 MolecularWeight: 487.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)Br)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC1C(C(OC2=C1C=C(C=C2)C#N)(C)C)Br)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23BrN2O5/c1-14(26-22(28)29-13-15-7-5-4-6-8-15)21(27)30-19-17-11-16(12-25)9-10-18(17)31-23(2,3)20(19)24/h4-11,14,19-20H,13H2,1-3H3,(H,26,28)