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

Systemtic Name: [6-chloranyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl] 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: (3-benzyl-6-chloro-4-methyl-2-oxo-chromen-7-yl) 6-(tert-butoxycarbonylamino)hexanoate CAS Name: 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic 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) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: 6-(tert-butoxycarbonylamino)hexanoic acid (3-benzyl-6-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C28H32ClNO6 MolecularWeight: 514.00978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClNO6/c1-18-20-16-22(29)24(17-23(20)35-26(32)21(18)15-19-11-7-5-8-12-19)34-25(31)13-9-6-10-14-30-27(33)36-28(2,3)4/h5,7-8,11-12,16-17H,6,9-10,13-15H2,1-4H3,(H,30,33)