(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)pentanoate CAS Name: 2-(phenylmethoxycarbonylamino)pentanoic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)valeric acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C26H28ClNO6 MolecularWeight: 485.95662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H28ClNO6/c1-3-5-12-18-13-24(29)33-22-15-23(20(27)14-19(18)22)34-25(30)21(9-4-2)28-26(31)32-16-17-10-7-6-8-11-17/h6-8,10-11,13-15,21H,3-5,9,12,16H2,1-2H3,(H,28,31)