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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(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) 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(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)CCNC(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClNO6/c1-15-17-13-19(26)21(31-22(28)10-11-27-24(30)33-25(2,3)4)14-20(17)32-23(29)18(15)12-16-8-6-5-7-9-16/h5-9,13-14H,10-12H2,1-4H3,(H,27,30)