aziridin-2-one; ethyl 2-ethoxy-4-[1-(2-piperidin-1-ylphenyl)pent-4-enyl]benzoate

Systemtic Name: aziridin-2-one; ethyl 2-ethoxy-4-[1-(2-piperidin-1-ylphenyl)pent-4-enyl]benzoate Openeye Name: aziridin-2-one; ethyl 2-ethoxy-4-[1-[2-(1-piperidyl)phenyl]pent-4-enyl]benzoate CAS Name: 2-aziridinone; 2-ethoxy-4-[1-[2-(1-piperidinyl)phenyl]pent-4-enyl]benzoic acid ethyl ester IUPAC Name: aziridin-2-one; ethyl 2-ethoxy-4-[1-(2-piperidin-1-ylphenyl)pent-4-enyl]benzoate Traditional Name: 2-ethoxy-4-[1-(2-piperidinophenyl)pent-4-enyl]benzoic acid ethyl ester; ethylenimin-2-one Formula: C29H38N2O4 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CCC=C)C2=CC=CC=C2N3CCCCC3)C(=O)OCC.C1C(=O)N1

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CCC=C)C2=CC=CC=C2N3CCCCC3)C(=O)OCC.C1C(=O)N1

InChI

InChI=1S/C27H35NO3.C2H3NO/c1-4-7-13-22(23-14-9-10-15-25(23)28-18-11-8-12-19-28)21-16-17-24(27(29)31-6-3)26(20-21)30-5-2;4-2-1-3-2/h4,9-10,14-17,20,22H,1,5-8,11-13,18-19H2,2-3H3;1H2,(H,3,4)