(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl) 2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl) 2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: (8-methyl-2-oxo-4-propyl-chromen-7-yl) 2-(benzyloxycarbonylamino)hexanoate CAS Name: 2-(phenylmethoxycarbonylamino)hexanoic acid (8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (8-methyl-2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2-(benzyloxycarbonylamino)hexanoic acid (2-keto-8-methyl-4-propyl-chromen-7-yl) ester Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=C(C2=C(C=C1)C(=CC(=O)O2)CCC)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)OC1=C(C2=C(C=C1)C(=CC(=O)O2)CCC)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31NO6/c1-4-6-13-22(28-27(31)32-17-19-11-8-7-9-12-19)26(30)33-23-15-14-21-20(10-5-2)16-24(29)34-25(21)18(23)3/h7-9,11-12,14-16,22H,4-6,10,13,17H2,1-3H3,(H,28,31)