methyl 1-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[(isopropylcarbamoylamino)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(isopropylcarbamoylamino)methyl]benzoyl]isonipecotic acid methyl ester Formula: C19H27N3O4 MolecularWeight: 361.43538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C19H27N3O4/c1-13(2)21-19(25)20-12-14-4-6-15(7-5-14)17(23)22-10-8-16(9-11-22)18(24)26-3/h4-7,13,16H,8-12H2,1-3H3,(H2,20,21,25)