2-dimethylaminoethyl 3-[4-(pentadecylamino)phenyl]propanoate

Systemtic Name: 2-dimethylaminoethyl 3-[4-(pentadecylamino)phenyl]propanoate Openeye Name: 2-dimethylaminoethyl 3-[4-(pentadecylamino)phenyl]propanoate CAS Name: 3-[4-(pentadecylamino)phenyl]propanoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3-[4-(pentadecylamino)phenyl]propanoate Traditional Name: 3-[4-(pentadecylamino)phenyl]propionic acid 2-dimethylaminoethyl ester Formula: C28H50N2O2 MolecularWeight: 446.7088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OCCN(C)C

InChI

InChI=1S/C28H50N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-27-20-17-26(18-21-27)19-22-28(31)32-25-24-30(2)3/h17-18,20-21,29H,4-16,19,22-25H2,1-3H3