O1-(4-azanyl-4-oxidanylidene-butyl) O6-(phenylmethyl) 2-(quinolin-2-ylcarbonylamino)hexanedioate

Systemtic Name: O1-(4-azanyl-4-oxidanylidene-butyl) O6-(phenylmethyl) 2-(quinolin-2-ylcarbonylamino)hexanedioate Openeye Name: O1-(4-amino-4-oxo-butyl) O6-benzyl 2-(quinoline-2-carbonylamino)hexanedioate CAS Name: 2-[[oxo(2-quinolinyl)methyl]amino]hexanedioic acid O1-(4-amino-4-oxobutyl) ester O6-(phenylmethyl) ester IUPAC Name: 1-O-(4-amino-4-oxobutyl) 6-O-benzyl 2-(quinoline-2-carbonylamino)hexanedioate Traditional Name: 2-(quinaldoylamino)adipic acid O1-(4-amino-4-keto-butyl) ester O6-benzyl ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)OCCCC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)OCCCC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H29N3O6/c28-24(31)13-7-17-35-27(34)23(12-6-14-25(32)36-18-19-8-2-1-3-9-19)30-26(33)22-16-15-20-10-4-5-11-21(20)29-22/h1-5,8-11,15-16,23H,6-7,12-14,17-18H2,(H2,28,31)(H,30,33)