phenyl 3-[4-(14-methylpentadecylamino)phenyl]prop-2-ynoate

Systemtic Name: phenyl 3-[4-(14-methylpentadecylamino)phenyl]prop-2-ynoate Openeye Name: phenyl 3-[4-(14-methylpentadecylamino)phenyl]prop-2-ynoate CAS Name: 3-[4-(14-methylpentadecylamino)phenyl]-2-propynoic acid phenyl ester IUPAC Name: phenyl 3-[4-(14-methylpentadecylamino)phenyl]prop-2-ynoate Traditional Name: 3-[4-(14-methylpentadecylamino)phenyl]propiolic acid phenyl ester Formula: C31H43NO2 MolecularWeight: 461.67862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCNC1=CC=C(C=C1)C#CC(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)CCCCCCCCCCCCCNC1=CC=C(C=C1)C#CC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C31H43NO2/c1-27(2)17-13-10-8-6-4-3-5-7-9-11-16-26-32-29-23-20-28(21-24-29)22-25-31(33)34-30-18-14-12-15-19-30/h12,14-15,18-21,23-24,27,32H,3-11,13,16-17,26H2,1-2H3