(6-oxidanylidenebenzo[c]chromen-3-yl) (2R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (6-oxidanylidenebenzo[c]chromen-3-yl) (2R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (6-oxobenzo[c]chromen-3-yl) (2R)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (6-oxo-3-benzo[c][1]benzopyranyl) ester IUPAC Name: (6-oxobenzo[c]chromen-3-yl) (2R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid (6-ketobenzo[c]chromen-3-yl) ester Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC(C)[C@H](C(=O)OC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H25NO6/c1-3-17(2)24(28-27(31)32-16-18-9-5-4-6-10-18)26(30)33-19-13-14-21-20-11-7-8-12-22(20)25(29)34-23(21)15-19/h4-15,17,24H,3,16H2,1-2H3,(H,28,31)/t17?,24-/m1/s1