O1-tert-butyl O5-(phenylmethyl) 4-[4-(dimethylamino)-4-methanoyl-hexanoyl]-2-(methylamino)pentanedioate

Systemtic Name: O1-tert-butyl O5-(phenylmethyl) 4-[4-(dimethylamino)-4-methanoyl-hexanoyl]-2-(methylamino)pentanedioate Openeye Name: O1-benzyl O5-tert-butyl 2-[4-(dimethylamino)-4-formyl-hexanoyl]-4-(methylamino)pentanedioate CAS Name: 4-[4-(dimethylamino)-4-formyl-1-oxohexyl]-2-(methylamino)pentanedioic acid O1-tert-butyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-tert-butyl 4-[4-(dimethylamino)-4-formylhexanoyl]-2-(methylamino)pentanedioate Traditional Name: 2-[4-(dimethylamino)-4-formyl-hexanoyl]-4-(methylamino)glutaric acid O1-benzyl ester O5-tert-butyl ester Formula: C26H40N2O6 MolecularWeight: 476.6056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)C(CC(C(=O)OC(C)(C)C)NC)C(=O)OCC1=CC=CC=C1)(C=O)N(C)C

Isomeric SMILES

CCC(CCC(=O)C(CC(C(=O)OC(C)(C)C)NC)C(=O)OCC1=CC=CC=C1)(C=O)N(C)C

InChI

InChI=1S/C26H40N2O6/c1-8-26(18-29,28(6)7)15-14-22(30)20(16-21(27-5)24(32)34-25(2,3)4)23(31)33-17-19-12-10-9-11-13-19/h9-13,18,20-21,27H,8,14-17H2,1-7H3