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

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)-4-methyl-pentanoate CAS Name: 4-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) 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-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(CC(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO6/c1-5-19-13-20-17(4)12-24(28)32-23(20)14-22(19)33-25(29)21(11-16(2)3)27-26(30)31-15-18-9-7-6-8-10-18/h6-10,12-14,16,21H,5,11,15H2,1-4H3,(H,27,30)