3-[[2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-[4-(1-piperidyl)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-1-oxo-3-[4-(1-piperidinyl)phenyl]prop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(4-piperidinophenyl)acryloyl]amino]benzoic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H21N3O3/c23-15-18(21(26)24-19-6-4-5-17(14-19)22(27)28)13-16-7-9-20(10-8-16)25-11-2-1-3-12-25/h4-10,13-14H,1-3,11-12H2,(H,24,26)(H,27,28)