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

Systemtic Name: 4-[[(E)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-1-oxo-3-[4-(1-pyrrolidinyl)phenyl]prop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(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=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19N3O3/c22-14-17(20(25)23-18-7-5-16(6-8-18)21(26)27)13-15-3-9-19(10-4-15)24-11-1-2-12-24/h3-10,13H,1-2,11-12H2,(H,23,25)(H,26,27)/b17-13+