2-ethoxy-4-[2-oxidanylidene-2-[1-(2-piperidin-1-ylphenyl)pent-4-enylamino]ethyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)NC(CCC=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/h3,7-8,11,13-15,18,23H,1,4-6,9-10,12,16-17,19H2,2H3,(H,28,30)(H,31,32)