O6-(1-cyanopentadecan-2-yl) O1-(phenylmethyl) 2-(phenoxycarbonylamino)hexanedioate

Systemtic Name: O6-(1-cyanopentadecan-2-yl) O1-(phenylmethyl) 2-(phenoxycarbonylamino)hexanedioate Openeye Name: O1-benzyl O6-[1-(cyanomethyl)tetradecyl] 2-(phenoxycarbonylamino)hexanedioate CAS Name: 2-[[oxo(phenoxy)methyl]amino]hexanedioic acid O6-(1-cyanopentadecan-2-yl) ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 6-O-(1-cyanopentadecan-2-yl) 2-(phenoxycarbonylamino)hexanedioate Traditional Name: 2-(carbophenoxyamino)adipic acid O1-benzyl ester O6-[1-(cyanomethyl)tetradecyl] ester Formula: C36H50N2O6 MolecularWeight: 606.792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC#N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCC(CC#N)OC(=O)CCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C36H50N2O6/c1-2-3-4-5-6-7-8-9-10-11-16-24-32(27-28-37)43-34(39)26-19-25-33(35(40)42-29-30-20-14-12-15-21-30)38-36(41)44-31-22-17-13-18-23-31/h12-15,17-18,20-23,32-33H,2-11,16,19,24-27,29H2,1H3,(H,38,41)