(phenylmethyl) (E)-3-[4-(pentadecylamino)phenyl]prop-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-[4-(pentadecylamino)phenyl]prop-2-enoate Openeye Name: benzyl (E)-3-[4-(pentadecylamino)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(pentadecylamino)phenyl]-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-[4-(pentadecylamino)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(pentadecylamino)phenyl]acrylic acid benzyl ester Formula: C31H45NO2 MolecularWeight: 463.6945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCNC1=CC=C(C=C1)C=CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCNC1=CC=C(C=C1)/C=C/C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C31H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-32-30-23-20-28(21-24-30)22-25-31(33)34-27-29-18-15-14-16-19-29/h14-16,18-25,32H,2-13,17,26-27H2,1H3/b25-22+