2-ethoxy-4-[2-oxidanylidene-2-[[(E)-1-(2-piperidin-1-ylphenyl)pent-3-enyl]amino]ethyl]benzoic acid

Systemtic Name: 2-ethoxy-4-[2-oxidanylidene-2-[[(E)-1-(2-piperidin-1-ylphenyl)pent-3-enyl]amino]ethyl]benzoic acid Openeye Name: 2-ethoxy-4-[2-oxo-2-[[(E)-1-[2-(1-piperidyl)phenyl]pent-3-enyl]amino]ethyl]benzoic acid CAS Name: 2-ethoxy-4-[2-oxo-2-[[(E)-1-[2-(1-piperidinyl)phenyl]pent-3-enyl]amino]ethyl]benzoic acid IUPAC Name: 2-ethoxy-4-[2-oxo-2-[[(E)-1-(2-piperidin-1-ylphenyl)pent-3-enyl]amino]ethyl]benzoic acid Traditional Name: 2-ethoxy-4-[2-keto-2-[[(E)-1-(2-piperidinophenyl)pent-3-enyl]amino]ethyl]benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)NC(CC=CC)C2=CC=CC=C2N3CCCCC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)NC(C/C=C/C)C2=CC=CC=C2N3CCCCC3)C(=O)O

InChI

InChI=1S/C27H34N2O4/c1-3-5-12-23(21-11-7-8-13-24(21)29-16-9-6-10-17-29)28-26(30)19-20-14-15-22(27(31)32)25(18-20)33-4-2/h3,5,7-8,11,13-15,18,23H,4,6,9-10,12,16-17,19H2,1-2H3,(H,28,30)(H,31,32)/b5-3+