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

Systemtic Name: (6-chloranyl-4-ethyl-2-oxidanylidene-chromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-chloro-4-ethyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (6-chloro-4-ethyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-4-ethyl-2-oxochromen-7-yl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (6-chloro-4-ethyl-2-keto-chromen-7-yl) ester Formula: C30H25ClN2O6 MolecularWeight: 544.9823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCC1=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/C30H25ClN2O6/c1-2-19-13-28(34)38-26-15-27(23(31)14-22(19)26)39-29(35)25(12-20-16-32-24-11-7-6-10-21(20)24)33-30(36)37-17-18-8-4-3-5-9-18/h3-11,13-16,25,32H,2,12,17H2,1H3,(H,33,36)