4-(dioctadecylamino)-4-oxidanylidene-butanoate; 4-oxidanylidene-4-(propan-2-ylamino)butanoate

Systemtic Name: 4-(dioctadecylamino)-4-oxidanylidene-butanoate; 4-oxidanylidene-4-(propan-2-ylamino)butanoate Openeye Name: 4-(dioctadecylamino)-4-oxo-butanoate; 4-(isopropylamino)-4-oxo-butanoate CAS Name: 4-(dioctadecylamino)-4-oxobutanoate; 4-oxo-4-(propan-2-ylamino)butanoate IUPAC Name: 4-(dioctadecylamino)-4-oxobutanoate; 4-oxo-4-(propan-2-ylamino)butanoate Traditional Name: 4-(distearylamino)-4-keto-butyrate; 4-(isopropylamino)-4-keto-butyrate Formula: C47H90N2O6-2 MolecularWeight: 779.2273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC(=O)[O-].CC(C)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC(=O)[O-].CC(C)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C40H79NO3.C7H13NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41(39(42)35-36-40(43)44)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5(2)8-6(9)3-4-7(10)11/h3-38H2,1-2H3,(H,43,44);5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/p-2