[2-azanyl-1-(3-dodec-1-ynylphenyl)-1,3-bis(oxidanyl)propyl] ethanoate

Systemtic Name: [2-azanyl-1-(3-dodec-1-ynylphenyl)-1,3-bis(oxidanyl)propyl] ethanoate Openeye Name: [2-amino-1-(3-dodec-1-ynylphenyl)-1,3-dihydroxy-propyl] acetate CAS Name: acetic acid [2-amino-1-(3-dodec-1-ynylphenyl)-1,3-dihydroxypropyl] ester IUPAC Name: [2-amino-1-(3-dodec-1-ynylphenyl)-1,3-dihydroxypropyl] acetate Traditional Name: acetic acid [2-amino-1-(3-dodec-1-ynylphenyl)-1,3-dihydroxy-propyl] ester Formula: C23H35NO4 MolecularWeight: 389.5283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CC(=CC=C1)C(C(CO)N)(O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCC#CC1=CC(=CC=C1)C(C(CO)N)(O)OC(=O)C

InChI

InChI=1S/C23H35NO4/c1-3-4-5-6-7-8-9-10-11-12-14-20-15-13-16-21(17-20)23(27,22(24)18-25)28-19(2)26/h13,15-17,22,25,27H,3-11,18,24H2,1-2H3