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

Systemtic Name: 2-[[(E)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-1-oxo-3-[4-(1-pyrrolidinyl)phenyl]prop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(4-pyrrolidinophenyl)acryloyl]amino]benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H19N3O3/c22-14-16(20(25)23-19-6-2-1-5-18(19)21(26)27)13-15-7-9-17(10-8-15)24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12H2,(H,23,25)(H,26,27)/b16-13+