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

Systemtic Name: O1-(4-methyl-2-oxidanylidene-3-propyl-chromen-7-yl) O5-(phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate Openeye Name: O5-benzyl O1-(4-methyl-2-oxo-3-propyl-chromen-7-yl) (2S)-2-(benzyloxycarbonylamino)pentanedioate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)pentanedioic acid O1-(4-methyl-2-oxo-3-propyl-1-benzopyran-7-yl) ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-(4-methyl-2-oxo-3-propylchromen-7-yl) (2S)-2-(phenylmethoxycarbonylamino)pentanedioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)glutaric acid O5-benzyl ester O1-(2-keto-4-methyl-3-propyl-chromen-7-yl) ester Formula: C33H33NO8 MolecularWeight: 571.61702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C(C=C2)OC(=O)C(CCC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OC1=O)C

Isomeric SMILES

CCCC1=C(C2=C(C=C(C=C2)OC(=O)[C@H](CCC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OC1=O)C

InChI

InChI=1S/C33H33NO8/c1-3-10-27-22(2)26-16-15-25(19-29(26)42-31(27)36)41-32(37)28(34-33(38)40-21-24-13-8-5-9-14-24)17-18-30(35)39-20-23-11-6-4-7-12-23/h4-9,11-16,19,28H,3,10,17-18,20-21H2,1-2H3,(H,34,38)/t28-/m0/s1