[4-[(3-methylphenyl)carbonylamino]phenyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: [4-[(3-methylphenyl)carbonylamino]phenyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [4-[(3-methylbenzoyl)amino]phenyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid [4-[[(3-methylphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(3-methylbenzoyl)amino]phenyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid [4-(m-toluoylamino)phenyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H25N3O4/c1-18-5-4-6-20(17-18)25(31)28-21-9-11-22(12-10-21)33-26(32)19-13-15-30(16-14-19)27-29-23-7-2-3-8-24(23)34-27/h2-12,17,19H,13-16H2,1H3,(H,28,31)