O1-(phenylmethyl) O10-(quinolin-4-ylmethyl) decanedioate

Systemtic Name: O1-(phenylmethyl) O10-(quinolin-4-ylmethyl) decanedioate Openeye Name: O1-benzyl O10-(4-quinolylmethyl) decanedioate CAS Name: decanedioic acid O1-(phenylmethyl) ester O10-(4-quinolinylmethyl) ester IUPAC Name: 1-O-benzyl 10-O-(quinolin-4-ylmethyl) decanedioate Traditional Name: sebacic acid O1-benzyl ester O10-(4-quinolylmethyl) ester Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCCCCCCC(=O)OCC2=CC=NC3=CC=CC=C23

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCCCCCCC(=O)OCC2=CC=NC3=CC=CC=C23

InChI

InChI=1S/C27H31NO4/c29-26(31-20-22-12-6-5-7-13-22)16-8-3-1-2-4-9-17-27(30)32-21-23-18-19-28-25-15-11-10-14-24(23)25/h5-7,10-15,18-19H,1-4,8-9,16-17,20-21H2