ethyl 2-acetamido-3-oxidanyl-3-(3-undec-1-ynylphenyl)propanoate

Systemtic Name: ethyl 2-acetamido-3-oxidanyl-3-(3-undec-1-ynylphenyl)propanoate Openeye Name: ethyl 2-acetamido-3-hydroxy-3-(3-undec-1-ynylphenyl)propanoate CAS Name: 2-acetamido-3-hydroxy-3-(3-undec-1-ynylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-hydroxy-3-(3-undec-1-ynylphenyl)propanoate Traditional Name: 2-acetamido-3-hydroxy-3-(3-undec-1-ynylphenyl)propionic acid ethyl ester Formula: C24H35NO4 MolecularWeight: 401.539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC#CC1=CC(=CC=C1)C(C(C(=O)OCC)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCC#CC1=CC(=CC=C1)C(C(C(=O)OCC)NC(=O)C)O

InChI

InChI=1S/C24H35NO4/c1-4-6-7-8-9-10-11-12-13-15-20-16-14-17-21(18-20)23(27)22(25-19(3)26)24(28)29-5-2/h14,16-18,22-23,27H,4-12H2,1-3H3,(H,25,26)