ethyl 4-[[(E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-[4-(1-piperidyl)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-[4-(1-piperidinyl)phenyl]prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4-piperidinophenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C24H25N3O3 MolecularWeight: 403.4736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)N3CCCCC3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)N3CCCCC3)/C#N

InChI

InChI=1S/C24H25N3O3/c1-2-30-24(29)19-8-10-21(11-9-19)26-23(28)20(17-25)16-18-6-12-22(13-7-18)27-14-4-3-5-15-27/h6-13,16H,2-5,14-15H2,1H3,(H,26,28)/b20-16+