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

Systemtic Name: (4-butyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (4-butyl-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-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-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-2-keto-chromen-7-yl) ester Formula: C29H32N2O6 MolecularWeight: 504.57418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C

InChI

InChI=1S/C29H32N2O6/c1-5-6-9-18-15-26(32)36-25-16-20(12-13-22(18)25)35-27(33)24(31-28(34)37-29(2,3)4)14-19-17-30-23-11-8-7-10-21(19)23/h7-8,10-13,15-17,24,30H,5-6,9,14H2,1-4H3,(H,31,34)