[4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: [4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2R)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid [4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2R)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid [4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester Formula: C30H26F3NO7 MolecularWeight: 569.52515

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC(C)[C@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H26F3NO7/c1-3-18(2)24(34-29(37)38-17-19-10-6-4-7-11-19)28(36)40-21-14-15-22-23(16-21)41-27(30(31,32)33)26(25(22)35)39-20-12-8-5-9-13-20/h4-16,18,24H,3,17H2,1-2H3,(H,34,37)/t18?,24-/m1/s1