[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H22BrN3O4/c1-14(20(27)24-17-8-6-16(23)7-9-17)29-21(28)15-10-12-26(13-11-15)22-25-18-4-2-3-5-19(18)30-22/h2-9,14-15H,10-13H2,1H3,(H,24,27)