(6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 4-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-chloro-1-hydroxy-9-oxo-xanthen-3-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid (6-chloro-1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (6-chloro-1-hydroxy-9-oxoxanthen-3-yl) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid (6-chloro-1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C25H20ClNO7 MolecularWeight: 481.8818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC(=C4)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC(=O)OC2=CC(=C3C(=C2)OC4=C(C3=O)C=CC(=C4)Cl)O

InChI

InChI=1S/C25H20ClNO7/c26-16-8-9-18-20(11-16)34-21-13-17(12-19(28)23(21)24(18)30)33-22(29)7-4-10-27-25(31)32-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-13,28H,4,7,10,14H2,(H,27,31)