(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-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-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C29H26ClNO6 MolecularWeight: 519.97284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H26ClNO6/c1-2-9-21-15-27(32)36-25-17-26(23(30)16-22(21)25)37-28(33)24(14-19-10-5-3-6-11-19)31-29(34)35-18-20-12-7-4-8-13-20/h3-8,10-13,15-17,24H,2,9,14,18H2,1H3,(H,31,34)