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

Systemtic Name: (phenylmethyl) 3-[4-(14-methylpentadecylamino)phenyl]prop-2-ynoate Openeye Name: benzyl 3-[4-(14-methylpentadecylamino)phenyl]prop-2-ynoate CAS Name: 3-[4-(14-methylpentadecylamino)phenyl]-2-propynoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-(14-methylpentadecylamino)phenyl]prop-2-ynoate Traditional Name: 3-[4-(14-methylpentadecylamino)phenyl]propiolic acid benzyl ester Formula: C32H45NO2 MolecularWeight: 475.7052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCNC1=CC=C(C=C1)C#CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCCCCCCCCCCCCNC1=CC=C(C=C1)C#CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C32H45NO2/c1-28(2)17-13-10-8-6-4-3-5-7-9-11-16-26-33-31-23-20-29(21-24-31)22-25-32(34)35-27-30-18-14-12-15-19-30/h12,14-15,18-21,23-24,28,33H,3-11,13,16-17,26-27H2,1-2H3