4-(dodecan-2-ylamino)phthalic acid

Systemtic Name: 4-(dodecan-2-ylamino)phthalic acid Openeye Name: 4-(1-methylundecylamino)phthalic acid CAS Name: 4-(dodecan-2-ylamino)phthalic acid IUPAC Name: 4-(dodecan-2-ylamino)phthalic acid Traditional Name: 4-(1-methylundecylamino)phthalic acid Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)NC1=CC(=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(C)NC1=CC(=C(C=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C20H31NO4/c1-3-4-5-6-7-8-9-10-11-15(2)21-16-12-13-17(19(22)23)18(14-16)20(24)25/h12-15,21H,3-11H2,1-2H3,(H,22,23)(H,24,25)