(6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 2-(benzyloxycarbonylamino)hexanoate CAS Name: 2-(phenylmethoxycarbonylamino)hexanoic acid (6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-7-yl) 2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2-(benzyloxycarbonylamino)hexanoic acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C29H26ClNO6 MolecularWeight: 519.97284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H26ClNO6/c1-2-3-14-24(31-29(34)35-18-19-10-6-4-7-11-19)28(33)37-26-17-25-22(15-23(26)30)21(16-27(32)36-25)20-12-8-5-9-13-20/h4-13,15-17,24H,2-3,14,18H2,1H3,(H,31,34)