(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: (6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: (6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl) 2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid (6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid (6-chloro-2-keto-3,4-dimethyl-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(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)C

Isomeric SMILES

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

InChI

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