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

Systemtic Name: 4-[(E)-3-(4-pyrrolidin-1-yl-3-thiophen-2-yl-phenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[4-pyrrolidin-1-yl-3-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-1-oxo-3-[4-(1-pyrrolidinyl)-3-thiophen-2-ylphenyl]prop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(4-pyrrolidin-1-yl-3-thiophen-2-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[4-pyrrolidino-3-(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)C=CC(=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CS4

InChI

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