(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-valeric acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C26H29NO6 MolecularWeight: 451.51156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C(C(C)CC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C(C(C)CC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29NO6/c1-5-16(3)24(27-26(30)31-15-18-10-8-7-9-11-18)25(29)33-21-14-22-20(13-19(21)6-2)17(4)12-23(28)32-22/h7-14,16,24H,5-6,15H2,1-4H3,(H,27,30)