carboxy 4-azanylidene-4-carboxyoxy-2-(4-octoxyphenyl)butanoate

Systemtic Name: carboxy 4-azanylidene-4-carboxyoxy-2-(4-octoxyphenyl)butanoate Openeye Name: carboxy 4-carboxyoxy-4-imino-2-(4-octoxyphenyl)butanoate CAS Name: 4-carboxyoxy-4-imino-2-(4-octoxyphenyl)butanoic acid carboxy ester IUPAC Name: carboxy 4-carboxyoxy-4-imino-2-(4-octoxyphenyl)butanoate Traditional Name: 4-carboxyoxy-4-imino-2-(4-octoxyphenyl)butyric acid carboxy ester Formula: C20H27NO8 MolecularWeight: 409.43028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(CC(=N)OC(=O)O)C(=O)OC(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(CC(=N)OC(=O)O)C(=O)OC(=O)O

InChI

InChI=1S/C20H27NO8/c1-2-3-4-5-6-7-12-27-15-10-8-14(9-11-15)16(18(22)29-20(25)26)13-17(21)28-19(23)24/h8-11,16,21H,2-7,12-13H2,1H3,(H,23,24)(H,25,26)