3-butyl-7-phenylazanyl-octanoic acid

Systemtic Name: 3-butyl-7-phenylazanyl-octanoic acid Openeye Name: 7-anilino-3-butyl-octanoic acid CAS Name: 7-anilino-3-butyloctanoic acid IUPAC Name: 7-anilino-3-butyloctanoic acid Traditional Name: 7-anilino-3-butyl-caprylic acid Formula: C18H29NO2 MolecularWeight: 291.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC(C)NC1=CC=CC=C1)CC(=O)O

Isomeric SMILES

CCCCC(CCCC(C)NC1=CC=CC=C1)CC(=O)O

InChI

InChI=1S/C18H29NO2/c1-3-4-10-16(14-18(20)21)11-8-9-15(2)19-17-12-6-5-7-13-17/h5-7,12-13,15-16,19H,3-4,8-11,14H2,1-2H3,(H,20,21)