2-dimethylaminoethyl 3-[4-(hexadecan-2-ylamino)phenyl]prop-2-ynoate

Systemtic Name: 2-dimethylaminoethyl 3-[4-(hexadecan-2-ylamino)phenyl]prop-2-ynoate Openeye Name: 2-dimethylaminoethyl 3-[4-(1-methylpentadecylamino)phenyl]prop-2-ynoate CAS Name: 3-[4-(hexadecan-2-ylamino)phenyl]-2-propynoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3-[4-(hexadecan-2-ylamino)phenyl]prop-2-ynoate Traditional Name: 3-[4-(1-methylpentadecylamino)phenyl]propiolic acid 2-dimethylaminoethyl ester Formula: C29H48N2O2 MolecularWeight: 456.70362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C#CC(=O)OCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C#CC(=O)OCCN(C)C

InChI

InChI=1S/C29H48N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-26(2)30-28-21-18-27(19-22-28)20-23-29(32)33-25-24-31(3)4/h18-19,21-22,26,30H,5-17,24-25H2,1-4H3