4-[2-[4-methoxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-[4-methoxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[4-methoxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[4-methoxy-2-[2-(1-methyl-2-pyrrolidinyl)ethoxy]-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[4-methoxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[4-methoxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCOC2=C(C=C(C(=C2)OC)C3=CC=CS3)C(=C)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1CCCC1CCOC2=C(C=C(C(=C2)OC)C3=CC=CS3)C(=C)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H29NO5S/c1-18(27(30)19-8-10-20(11-9-19)28(31)32)22-16-23(26-7-5-15-35-26)24(33-3)17-25(22)34-14-12-21-6-4-13-29(21)2/h5,7-11,15-17,21H,1,4,6,12-14H2,2-3H3,(H,31,32)