4-[2-[[cyclopropyl(phenyl)methyl]-propyl-amino]-5-methyl-1,3-thiazol-4-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[2-[[cyclopropyl(phenyl)methyl]-propyl-amino]-5-methyl-1,3-thiazol-4-yl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[2-[[cyclopropyl(phenyl)methyl]-propyl-amino]-5-methyl-thiazol-4-yl]benzene-1,3-dicarboxylic acid CAS Name: 4-[2-[[cyclopropyl(phenyl)methyl]-propylamino]-5-methyl-4-thiazolyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[2-[[cyclopropyl(phenyl)methyl]-propylamino]-5-methyl-1,3-thiazol-4-yl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[2-[[cyclopropyl(phenyl)methyl]-propyl-amino]-5-methyl-thiazol-4-yl]isophthalic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=NC(=C(S1)C)C2=C(C=C(C=C2)C(=O)O)C(=O)O)C(C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCCN(C1=NC(=C(S1)C)C2=C(C=C(C=C2)C(=O)O)C(=O)O)C(C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c1-3-13-27(22(17-9-10-17)16-7-5-4-6-8-16)25-26-21(15(2)32-25)19-12-11-18(23(28)29)14-20(19)24(30)31/h4-8,11-12,14,17,22H,3,9-10,13H2,1-2H3,(H,28,29)(H,30,31)