2-[4-[2-benzamido-3-oxidanylidene-3-(4-phenylbutylamino)propyl]-2-cyano-phenoxy]ethanoate

Systemtic Name: 2-[4-[2-benzamido-3-oxidanylidene-3-(4-phenylbutylamino)propyl]-2-cyano-phenoxy]ethanoate Openeye Name: 2-[4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]-2-cyano-phenoxy]acetate CAS Name: 2-[4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]-2-cyanophenoxy]acetate IUPAC Name: 2-[4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]-2-cyanophenoxy]acetate Traditional Name: 2-[4-[2-benzamido-3-keto-3-(4-phenylbutylamino)propyl]-2-cyano-phenoxy]acetate Formula: C29H28N3O5- MolecularWeight: 498.54972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)[O-])C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)OCC(=O)[O-])C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H29N3O5/c30-19-24-17-22(14-15-26(24)37-20-27(33)34)18-25(32-28(35)23-12-5-2-6-13-23)29(36)31-16-8-7-11-21-9-3-1-4-10-21/h1-6,9-10,12-15,17,25H,7-8,11,16,18,20H2,(H,31,36)(H,32,35)(H,33,34)/p-1