5-[(4-heptoxyphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-heptoxyphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-heptoxyanilino)-5-oxo-pentanoic acid CAS Name: 5-(4-heptoxyanilino)-5-oxopentanoic acid IUPAC Name: 5-(4-heptoxyanilino)-5-oxopentanoic acid Traditional Name: 5-(4-heptoxyanilino)-5-keto-valeric acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=O)CCCC(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=O)CCCC(=O)O

InChI

InChI=1S/C18H27NO4/c1-2-3-4-5-6-14-23-16-12-10-15(11-13-16)19-17(20)8-7-9-18(21)22/h10-13H,2-9,14H2,1H3,(H,19,20)(H,21,22)