O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(4-methoxyphenyl)carbonylamino]hexanedioate

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(4-methoxyphenyl)carbonylamino]hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-benzyl 2-[(4-methoxybenzoyl)amino]hexanedioate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]hexanedioic acid O6-(1-amino-1-oxohexadecan-3-yl) ester O1-(phenylmethyl) ester IUPAC Name: 6-O-(1-amino-1-oxohexadecan-3-yl) 1-O-benzyl 2-[(4-methoxybenzoyl)amino]hexanedioate Traditional Name: 2-(p-anisoylamino)adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-benzyl ester Formula: C37H54N2O7 MolecularWeight: 638.83386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H54N2O7/c1-3-4-5-6-7-8-9-10-11-12-16-20-32(27-34(38)40)46-35(41)22-17-21-33(37(43)45-28-29-18-14-13-15-19-29)39-36(42)30-23-25-31(44-2)26-24-30/h13-15,18-19,23-26,32-33H,3-12,16-17,20-22,27-28H2,1-2H3,(H2,38,40)(H,39,42)