ethyl (3S)-1-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[4-[(isopropylcarbamoylamino)methyl]benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-[4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-[(isopropylcarbamoylamino)methyl]benzoyl]nipecotic acid ethyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

InChI

InChI=1S/C20H29N3O4/c1-4-27-19(25)17-6-5-11-23(13-17)18(24)16-9-7-15(8-10-16)12-21-20(26)22-14(2)3/h7-10,14,17H,4-6,11-13H2,1-3H3,(H2,21,22,26)/t17-/m0/s1