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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C26H28ClNO6 MolecularWeight: 485.95662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H28ClNO6/c1-5-9-17-13-23(29)32-21-15-22(19(27)14-18(17)21)33-24(30)20(12-16-10-7-6-8-11-16)28-25(31)34-26(2,3)4/h6-8,10-11,13-15,20H,5,9,12H2,1-4H3,(H,28,31)