methyl 2-azanyl-2-(2,3,4-tridodecylphenyl)propanoate

Systemtic Name: methyl 2-azanyl-2-(2,3,4-tridodecylphenyl)propanoate Openeye Name: methyl 2-amino-2-(2,3,4-tridodecylphenyl)propanoate CAS Name: 2-amino-2-(2,3,4-tridodecylphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-amino-2-(2,3,4-tridodecylphenyl)propanoate Traditional Name: 2-amino-2-(2,3,4-trilaurylphenyl)propionic acid methyl ester Formula: C46H85NO2 MolecularWeight: 684.1726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C(=C(C=C1)C(C)(C(=O)OC)N)CCCCCCCCCCCC)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=C(C(=C(C=C1)C(C)(C(=O)OC)N)CCCCCCCCCCCC)CCCCCCCCCCCC

InChI

InChI=1S/C46H85NO2/c1-6-9-12-15-18-21-24-27-30-33-36-41-39-40-44(46(4,47)45(48)49-5)43(38-35-32-29-26-23-20-17-14-11-8-3)42(41)37-34-31-28-25-22-19-16-13-10-7-2/h39-40H,6-38,47H2,1-5H3