1-[4-[[butyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[[butyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[[butyl-(5-methyl-4-phenyl-thiazol-2-yl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[[butyl-(5-methyl-4-phenyl-2-thiazolyl)amino]methyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[butyl-(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[[butyl-(5-methyl-4-phenyl-thiazol-2-yl)amino]methyl]benzoyl]proline Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O)C3=NC(=C(S3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)C(=O)N2CCCC2C(=O)O)C3=NC(=C(S3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-3-4-16-29(27-28-24(19(2)34-27)21-9-6-5-7-10-21)18-20-12-14-22(15-13-20)25(31)30-17-8-11-23(30)26(32)33/h5-7,9-10,12-15,23H,3-4,8,11,16-18H2,1-2H3,(H,32,33)