(3R)-4-cyclododecyloxy-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (3R)-4-cyclododecyloxy-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (3R)-4-(cyclododecoxy)-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3R)-4-cyclododecyloxy-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (3R)-4-cyclododecyloxy-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (3R)-4-(cyclododecoxy)-3-(2-furfurylammonio)-4-keto-butyrate Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)OC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

C1CCCCCC(CCCCC1)OC(=O)[C@@H](CC(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C21H33NO5/c23-20(24)15-19(22-16-18-13-10-14-26-18)21(25)27-17-11-8-6-4-2-1-3-5-7-9-12-17/h10,13-14,17,19,22H,1-9,11-12,15-16H2,(H,23,24)/t19-/m1/s1