(E)-3-[3-[4-methoxy-3-(pentylamino)phenyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[4-methoxy-3-(pentylamino)phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[4-methoxy-3-(pentylamino)phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[4-methoxy-3-(pentylamino)phenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[4-methoxy-3-(pentylamino)phenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[3-(amylamino)-4-methoxy-phenyl]phenyl]acrylic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=CC(=C1)C2=CC(=CC=C2)C=CC(=O)O)OC

Isomeric SMILES

CCCCCNC1=C(C=CC(=C1)C2=CC(=CC=C2)/C=C/C(=O)O)OC

InChI

InChI=1S/C21H25NO3/c1-3-4-5-13-22-19-15-18(10-11-20(19)25-2)17-8-6-7-16(14-17)9-12-21(23)24/h6-12,14-15,22H,3-5,13H2,1-2H3,(H,23,24)/b12-9+