2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-5-ethyl-3-propyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoate

Systemtic Name: 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-5-ethyl-3-propyl-phenyl]-2-[(4-cyanophenyl)amino]ethanoate Openeye Name: 2-[2-[2-(azepan-1-yl)-2-oxo-ethoxy]-5-ethyl-3-propyl-phenyl]-2-(4-cyanoanilino)acetate CAS Name: 2-[2-[2-(1-azepanyl)-2-oxoethoxy]-5-ethyl-3-propylphenyl]-2-(4-cyanoanilino)acetate IUPAC Name: 2-[2-[2-(azepan-1-yl)-2-oxoethoxy]-5-ethyl-3-propylphenyl]-2-(4-cyanoanilino)acetate Traditional Name: 2-[2-[2-(azepan-1-yl)-2-keto-ethoxy]-5-ethyl-3-propyl-phenyl]-2-(4-cyanoanilino)acetate Formula: C28H34N3O4- MolecularWeight: 476.58726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OCC(=O)N3CCCCCC3

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C28H35N3O4/c1-3-9-22-16-20(4-2)17-24(26(28(33)34)30-23-12-10-21(18-29)11-13-23)27(22)35-19-25(32)31-14-7-5-6-8-15-31/h10-13,16-17,26,30H,3-9,14-15,19H2,1-2H3,(H,33,34)/p-1