(E)-3-[4-[(4-heptoxyphenyl)methylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(4-heptoxyphenyl)methylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(4-heptoxyphenyl)methylamino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[(4-heptoxyphenyl)methylamino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(4-heptoxyphenyl)methylamino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(4-heptoxybenzyl)amino]phenyl]acrylic acid Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C23H29NO3/c1-2-3-4-5-6-17-27-22-14-9-20(10-15-22)18-24-21-12-7-19(8-13-21)11-16-23(25)26/h7-16,24H,2-6,17-18H2,1H3,(H,25,26)/b16-11+