ethyl 5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-2-(dodecanoyloxymethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-(2-azanyl-4,5-dimethoxy-phenyl)carbonyl-2-(dodecanoyloxymethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-(2-amino-4,5-dimethoxy-benzoyl)-2-(dodecanoyloxymethyl)triazole-4-carboxylate CAS Name: 5-[(2-amino-4,5-dimethoxyphenyl)-oxomethyl]-2-(1-oxododecoxymethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-amino-4,5-dimethoxybenzoyl)-2-(dodecanoyloxymethyl)triazole-4-carboxylate Traditional Name: 5-(2-amino-4,5-dimethoxy-benzoyl)-2-(lauroyloxymethyl)triazole-4-carboxylic acid ethyl ester Formula: C27H40N4O7 MolecularWeight: 532.6291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCN1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2N)OC)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCN1N=C(C(=N1)C(=O)OCC)C(=O)C2=CC(=C(C=C2N)OC)OC

InChI

InChI=1S/C27H40N4O7/c1-5-7-8-9-10-11-12-13-14-15-23(32)38-18-31-29-24(25(30-31)27(34)37-6-2)26(33)19-16-21(35-3)22(36-4)17-20(19)28/h16-17H,5-15,18,28H2,1-4H3