2-[4-(14-methylpentadecylamino)phenyl]butanoate

Systemtic Name: 2-[4-(14-methylpentadecylamino)phenyl]butanoate Openeye Name: 2-[4-(14-methylpentadecylamino)phenyl]butanoate CAS Name: 2-[4-(14-methylpentadecylamino)phenyl]butanoate IUPAC Name: 2-[4-(14-methylpentadecylamino)phenyl]butanoate Traditional Name: 2-[4-(14-methylpentadecylamino)phenyl]butyrate Formula: C26H44NO2- MolecularWeight: 402.63306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)NCCCCCCCCCCCCCC(C)C)C(=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)NCCCCCCCCCCCCCC(C)C)C(=O)[O-]

InChI

InChI=1S/C26H45NO2/c1-4-25(26(28)29)23-17-19-24(20-18-23)27-21-15-13-11-9-7-5-6-8-10-12-14-16-22(2)3/h17-20,22,25,27H,4-16,21H2,1-3H3,(H,28,29)/p-1