N-[[3-(2-chloranylprop-2-enoxy)-4-methoxy-phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]ethanamide

Systemtic Name: N-[[3-(2-chloranylprop-2-enoxy)-4-methoxy-phenyl]methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]ethanamide Openeye Name: N-[[3-(2-chloroallyloxy)-4-methoxy-phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide CAS Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-N-[(3S)-2-oxo-3-azepanyl]acetamide IUPAC Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide Traditional Name: N-[3-(2-chloroallyloxy)-4-methoxy-benzyl]-N-[(3S)-2-ketoazepan-3-yl]acetamide Formula: C19H25ClN2O4 MolecularWeight: 380.8658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=CC(=C(C=C1)OC)OCC(=C)Cl)C2CCCCNC2=O

Isomeric SMILES

CC(=O)N(CC1=CC(=C(C=C1)OC)OCC(=C)Cl)[C@H]2CCCCNC2=O

InChI

InChI=1S/C19H25ClN2O4/c1-13(20)12-26-18-10-15(7-8-17(18)25-3)11-22(14(2)23)16-6-4-5-9-21-19(16)24/h7-8,10,16H,1,4-6,9,11-12H2,2-3H3,(H,21,24)/t16-/m0/s1