4-[(E)-3-(2-pyrrolidin-1-yl-5-thiophen-2-yl-phenyl)prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-(2-pyrrolidin-1-yl-5-thiophen-2-yl-phenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[2-pyrrolidin-1-yl-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-1-oxo-3-[2-(1-pyrrolidinyl)-5-thiophen-2-ylphenyl]prop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(2-pyrrolidin-1-yl-5-thiophen-2-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[2-pyrrolidino-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C3=CC=CS3)C=CC(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C3=CC=CS3)/C=C/C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H21NO3S/c26-22(17-5-7-18(8-6-17)24(27)28)12-10-19-16-20(23-4-3-15-29-23)9-11-21(19)25-13-1-2-14-25/h3-12,15-16H,1-2,13-14H2,(H,27,28)/b12-10+