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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid (6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C27H22ClNO6 MolecularWeight: 491.91968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H22ClNO6/c28-22-14-21-20(19-10-5-2-6-11-19)15-26(31)34-23(21)16-24(22)35-25(30)12-7-13-29-27(32)33-17-18-8-3-1-4-9-18/h1-6,8-11,14-16H,7,12-13,17H2,(H,29,32)