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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (6-chloro-2-oxo-4-propyl-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 (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-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 (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C28H29ClN2O6 MolecularWeight: 524.99266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=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/C28H29ClN2O6/c1-5-8-16-12-25(32)35-23-14-24(20(29)13-19(16)23)36-26(33)22(31-27(34)37-28(2,3)4)11-17-15-30-21-10-7-6-9-18(17)21/h6-7,9-10,12-15,22,30H,5,8,11H2,1-4H3,(H,31,34)