2-ethoxy-4-[2-oxidanylidene-2-[1-(2-piperidin-1-ylphenyl)but-3-ynylamino]ethyl]benzoic acid

Systemtic Name: 2-ethoxy-4-[2-oxidanylidene-2-[1-(2-piperidin-1-ylphenyl)but-3-ynylamino]ethyl]benzoic acid Openeye Name: 2-ethoxy-4-[2-oxo-2-[1-[2-(1-piperidyl)phenyl]but-3-ynylamino]ethyl]benzoic acid CAS Name: 2-ethoxy-4-[2-oxo-2-[1-[2-(1-piperidinyl)phenyl]but-3-ynylamino]ethyl]benzoic acid IUPAC Name: 2-ethoxy-4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)but-3-ynylamino]ethyl]benzoic acid Traditional Name: 2-ethoxy-4-[2-keto-2-[1-(2-piperidinophenyl)but-3-ynylamino]ethyl]benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-3-10-22(20-11-6-7-12-23(20)28-15-8-5-9-16-28)27-25(29)18-19-13-14-21(26(30)31)24(17-19)32-4-2/h1,6-7,11-14,17,22H,4-5,8-10,15-16,18H2,2H3,(H,27,29)(H,30,31)