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

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C30H28ClNO6 MolecularWeight: 533.99942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H28ClNO6/c1-2-3-14-22-16-28(33)37-26-18-27(24(31)17-23(22)26)38-29(34)25(15-20-10-6-4-7-11-20)32-30(35)36-19-21-12-8-5-9-13-21/h4-13,16-18,25H,2-3,14-15,19H2,1H3,(H,32,35)