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

Systemtic Name: 1-[4-[[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-(phenylmethyl)amino]methyl]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[[benzyl-[4-(2-methoxyphenyl)thiazol-2-yl]amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[[[4-(2-methoxyphenyl)-2-thiazolyl]-(phenylmethyl)amino]methyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[benzyl-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[[benzyl-[4-(2-methoxyphenyl)thiazol-2-yl]amino]methyl]benzoyl]proline Formula: C30H29N3O4S MolecularWeight: 527.63396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CSC(=N2)N(CC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)N5CCCC5C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=CSC(=N2)N(CC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)N5CCCC5C(=O)O

InChI

InChI=1S/C30H29N3O4S/c1-37-27-12-6-5-10-24(27)25-20-38-30(31-25)32(18-21-8-3-2-4-9-21)19-22-13-15-23(16-14-22)28(34)33-17-7-11-26(33)29(35)36/h2-6,8-10,12-16,20,26H,7,11,17-19H2,1H3,(H,35,36)