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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)N2CCCC2)C3=CC=CS3)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)N2CCCC2)C3=CC=CS3)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H21NO3S/c1-16(23(26)17-6-8-18(9-7-17)24(27)28)19-10-11-21(25-12-2-3-13-25)20(15-19)22-5-4-14-29-22/h4-11,14-15H,1-3,12-13H2,(H,27,28)