2-azanyl-3-(3-cyanophenyl)-2-[4-(diethylcarbamoyl)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 2-azanyl-3-(3-cyanophenyl)-2-[4-(diethylcarbamoyl)phenyl]piperidine-1-carboxylic acid Openeye Name: 2-amino-3-(3-cyanophenyl)-2-[4-(diethylcarbamoyl)phenyl]piperidine-1-carboxylic acid CAS Name: 2-amino-3-(3-cyanophenyl)-2-[4-[diethylamino(oxo)methyl]phenyl]-1-piperidinecarboxylic acid IUPAC Name: 2-amino-3-(3-cyanophenyl)-2-[4-(diethylcarbamoyl)phenyl]piperidine-1-carboxylic acid Traditional Name: 2-amino-3-(3-cyanophenyl)-2-[4-(diethylcarbamoyl)phenyl]piperidine-1-carboxylic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C2(C(CCCN2C(=O)O)C3=CC=CC(=C3)C#N)N

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C2(C(CCCN2C(=O)O)C3=CC=CC(=C3)C#N)N

InChI

InChI=1S/C24H28N4O3/c1-3-27(4-2)22(29)18-10-12-20(13-11-18)24(26)21(9-6-14-28(24)23(30)31)19-8-5-7-17(15-19)16-25/h5,7-8,10-13,15,21H,3-4,6,9,14,26H2,1-2H3,(H,30,31)