2-[(5-octoxy-4-octoxycarbonyl-5-oxidanylidene-pentyl)-phenyl-amino]propanoic acid

Systemtic Name: 2-[(5-octoxy-4-octoxycarbonyl-5-oxidanylidene-pentyl)-phenyl-amino]propanoic acid Openeye Name: 2-(N-(5-octoxy-4-octoxycarbonyl-5-oxo-pentyl)anilino)propanoic acid CAS Name: 2-(N-[5-octoxy-4-[octoxy(oxo)methyl]-5-oxopentyl]anilino)propanoic acid IUPAC Name: 2-(N-(5-octoxy-4-octoxycarbonyl-5-oxopentyl)anilino)propanoic acid Traditional Name: 2-(N-(5-keto-5-octoxy-4-octoxycarbonyl-pentyl)anilino)propionic acid Formula: C31H51NO6 MolecularWeight: 533.73974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CCCN(C1=CC=CC=C1)C(C)C(=O)O)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C(CCCN(C1=CC=CC=C1)C(C)C(=O)O)C(=O)OCCCCCCCC

InChI

InChI=1S/C31H51NO6/c1-4-6-8-10-12-17-24-37-30(35)28(31(36)38-25-18-13-11-9-7-5-2)22-19-23-32(26(3)29(33)34)27-20-15-14-16-21-27/h14-16,20-21,26,28H,4-13,17-19,22-25H2,1-3H3,(H,33,34)