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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic 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) 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C26H28ClNO6 MolecularWeight: 485.95662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClNO6/c1-16-18-14-20(27)22(32-23(29)11-8-12-28-25(31)34-26(2,3)4)15-21(18)33-24(30)19(16)13-17-9-6-5-7-10-17/h5-7,9-10,14-15H,8,11-13H2,1-4H3,(H,28,31)