(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)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-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C31H27ClN2O6 MolecularWeight: 559.00888

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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)OCC5=CC=CC=C5

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H27ClN2O6/c1-2-8-20-14-29(35)39-27-16-28(24(32)15-23(20)27)40-30(36)26(13-21-17-33-25-12-7-6-11-22(21)25)34-31(37)38-18-19-9-4-3-5-10-19/h3-7,9-12,14-17,26,33H,2,8,13,18H2,1H3,(H,34,37)