O1-(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) O5-(phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate

Systemtic Name: O1-(2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) O5-(phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate Openeye Name: O5-benzyl O1-(2-methyl-4-oxo-3-phenoxy-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)pentanedioate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)pentanedioic acid O1-(2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-(2-methyl-4-oxo-3-phenoxychromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)glutaric acid O5-benzyl ester O1-(4-keto-2-methyl-3-phenoxy-chromen-7-yl) ester Formula: C36H31NO9 MolecularWeight: 621.63264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CCC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)[C@H](CCC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C36H31NO9/c1-24-34(45-27-15-9-4-10-16-27)33(39)29-18-17-28(21-31(29)44-24)46-35(40)30(37-36(41)43-23-26-13-7-3-8-14-26)19-20-32(38)42-22-25-11-5-2-6-12-25/h2-18,21,30H,19-20,22-23H2,1H3,(H,37,41)/t30-/m0/s1