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

Systemtic Name: [2-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-5-ethyl-3-propyl-phenyl] 2-[(4-cyanophenyl)amino]ethanoate Openeye Name: [2-[2-(azepan-1-yl)-2-oxo-ethoxy]-5-ethyl-3-propyl-phenyl] 2-(4-cyanoanilino)acetate CAS Name: 2-(4-cyanoanilino)acetic acid [2-[2-(1-azepanyl)-2-oxoethoxy]-5-ethyl-3-propylphenyl] ester IUPAC Name: [2-[2-(azepan-1-yl)-2-oxoethoxy]-5-ethyl-3-propylphenyl] 2-(4-cyanoanilino)acetate Traditional Name: 2-(4-cyanoanilino)acetic acid [2-[2-(azepan-1-yl)-2-keto-ethoxy]-5-ethyl-3-propyl-phenyl] ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)OC(=O)CNC2=CC=C(C=C2)C#N)OCC(=O)N3CCCCCC3

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)OC(=O)CNC2=CC=C(C=C2)C#N)OCC(=O)N3CCCCCC3

InChI

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