tetradecyl 3-[[4-[ethyl(ethynyl)amino]-2-methyl-phenyl]carbamoylamino]propanoate

Systemtic Name: tetradecyl 3-[[4-[ethyl(ethynyl)amino]-2-methyl-phenyl]carbamoylamino]propanoate Openeye Name: tetradecyl 3-[[4-[ethyl(ethynyl)amino]-2-methyl-phenyl]carbamoylamino]propanoate CAS Name: 3-[[[4-[ethyl(ethynyl)amino]-2-methylanilino]-oxomethyl]amino]propanoic acid tetradecyl ester IUPAC Name: tetradecyl 3-[[4-[ethyl(ethynyl)amino]-2-methylphenyl]carbamoylamino]propanoate Traditional Name: 3-[[4-[ethyl(ethynyl)amino]-2-methyl-phenyl]carbamoylamino]propionic acid myristyl ester Formula: C29H47N3O3 MolecularWeight: 485.70178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)CCNC(=O)NC1=C(C=C(C=C1)N(CC)C#C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)CCNC(=O)NC1=C(C=C(C=C1)N(CC)C#C)C

InChI

InChI=1S/C29H47N3O3/c1-5-8-9-10-11-12-13-14-15-16-17-18-23-35-28(33)21-22-30-29(34)31-27-20-19-26(24-25(27)4)32(6-2)7-3/h2,19-20,24H,5,7-18,21-23H2,1,3-4H3,(H2,30,31,34)