(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C29H31ClN2O6 MolecularWeight: 539.01924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H31ClN2O6/c1-5-6-9-17-13-26(33)36-24-15-25(21(30)14-20(17)24)37-27(34)23(32-28(35)38-29(2,3)4)12-18-16-31-22-11-8-7-10-19(18)22/h7-8,10-11,13-16,23,31H,5-6,9,12H2,1-4H3,(H,32,35)