4-[[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[4-(4-pyrrolidin-1-ylphenyl)thiazol-2-yl]amino]methyl]benzoic acid CAS Name: 4-[[[4-[4-(1-pyrrolidinyl)phenyl]-2-thiazolyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-(4-pyrrolidinophenyl)thiazol-2-yl]amino]methyl]benzoic acid Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C3=CSC(=N3)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C3=CSC(=N3)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H21N3O2S/c25-20(26)17-5-3-15(4-6-17)13-22-21-23-19(14-27-21)16-7-9-18(10-8-16)24-11-1-2-12-24/h3-10,14H,1-2,11-13H2,(H,22,23)(H,25,26)