4-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methylcarbamoyl]phenoxy]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methylcarbamoyl]phenoxy]piperidine-1-carboxylic acid Openeye Name: 4-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methylcarbamoyl]phenoxy]piperidine-1-carboxylic acid CAS Name: 4-[4-[[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methylamino]-oxomethyl]phenoxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methylcarbamoyl]phenoxy]piperidine-1-carboxylic acid Traditional Name: 4-[4-[[4-(2-imidazolin-2-ylamino)benzyl]carbamoyl]phenoxy]piperidine-1-carboxylic acid Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC4=NCCN4)C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC4=NCCN4)C(=O)O

InChI

InChI=1S/C23H27N5O4/c29-21(26-15-16-1-5-18(6-2-16)27-22-24-11-12-25-22)17-3-7-19(8-4-17)32-20-9-13-28(14-10-20)23(30)31/h1-8,20H,9-15H2,(H,26,29)(H,30,31)(H2,24,25,27)