(phenylmethyl) 4-[[(4-isocyanophenyl)amino]methyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[(4-isocyanophenyl)amino]methyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: benzyl 4-hydroxy-4-[(4-isocyanoanilino)methyl]piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[(4-isocyanoanilino)methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-hydroxy-4-[(4-isocyanoanilino)methyl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-4-[(4-isocyanoanilino)methyl]piperidine-1-carboxylic acid benzyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)NCC2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)NCC2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H23N3O3/c1-22-18-7-9-19(10-8-18)23-16-21(26)11-13-24(14-12-21)20(25)27-15-17-5-3-2-4-6-17/h2-10,23,26H,11-16H2