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

Systemtic Name: ethyl 2-ethoxy-4-[2-oxidanylidene-2-[1-(2-piperidin-1-ylphenyl)but-3-ynylamino]ethyl]benzoate Openeye Name: ethyl 2-ethoxy-4-[2-oxo-2-[1-[2-(1-piperidyl)phenyl]but-3-ynylamino]ethyl]benzoate CAS Name: 2-ethoxy-4-[2-oxo-2-[1-[2-(1-piperidinyl)phenyl]but-3-ynylamino]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-ethoxy-4-[2-oxo-2-[1-(2-piperidin-1-ylphenyl)but-3-ynylamino]ethyl]benzoate Traditional Name: 2-ethoxy-4-[2-keto-2-[1-(2-piperidinophenyl)but-3-ynylamino]ethyl]benzoic acid ethyl ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-4-12-24(22-13-8-9-14-25(22)30-17-10-7-11-18-30)29-27(31)20-21-15-16-23(28(32)34-6-3)26(19-21)33-5-2/h1,8-9,13-16,19,24H,5-7,10-12,17-18,20H2,2-3H3,(H,29,31)