2-(phenylmethoxycarbonylamino)octanedioic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)octanedioic acid Openeye Name: 2-(benzyloxycarbonylamino)octanedioic acid CAS Name: 2-(phenylmethoxycarbonylamino)octanedioic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)octanedioic acid Traditional Name: 2-(benzyloxycarbonylamino)suberic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO6/c18-14(19)10-6-2-5-9-13(15(20)21)17-16(22)23-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,22)(H,18,19)(H,20,21)