(E)-3-[2-ethoxy-4-[2-oxidanylidene-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-ethoxy-4-[2-oxidanylidene-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-ethoxy-4-[2-oxo-2-[1-[2-(1-piperidyl)phenyl]butylamino]ethyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-ethoxy-4-[2-oxo-2-[1-[2-(1-piperidinyl)phenyl]butylamino]ethyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-ethoxy-4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)butylamino]ethyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-ethoxy-4-[2-keto-2-[1-(2-piperidinophenyl)butylamino]ethyl]phenyl]acrylic acid Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCCCC2)NC(=O)CC3=CC(=C(C=C3)C=CC(=O)O)OCC

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCCCC2)NC(=O)CC3=CC(=C(C=C3)/C=C/C(=O)O)OCC

InChI

InChI=1S/C28H36N2O4/c1-3-10-24(23-11-6-7-12-25(23)30-17-8-5-9-18-30)29-27(31)20-21-13-14-22(15-16-28(32)33)26(19-21)34-4-2/h6-7,11-16,19,24H,3-5,8-10,17-18,20H2,1-2H3,(H,29,31)(H,32,33)/b16-15+