[6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 2-(tert-butoxycarbonylamino)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [6-chloro-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl] ester IUPAC Name: (3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)propionic acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C25H26ClNO6 MolecularWeight: 471.93004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C)NC(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C)NC(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H26ClNO6/c1-14-17-12-19(26)21(32-22(28)15(2)27-24(30)33-25(3,4)5)13-20(17)31-23(29)18(14)11-16-9-7-6-8-10-16/h6-10,12-13,15H,11H2,1-5H3,(H,27,30)