4-(3-benzamido-2-cyano-5-methoxy-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3-benzamido-2-cyano-5-methoxy-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(3-benzamido-2-cyano-5-methoxy-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(3-benzamido-2-cyano-5-methoxyphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-benzamido-2-cyano-5-methoxyphenyl)piperazine-1-carboxylic acid Traditional Name: 4-(3-benzamido-2-cyano-5-methoxy-phenyl)piperazine-1-carboxylic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)N2CCN(CC2)C(=O)O)C#N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C(=C1)N2CCN(CC2)C(=O)O)C#N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O4/c1-28-15-11-17(22-19(25)14-5-3-2-4-6-14)16(13-21)18(12-15)23-7-9-24(10-8-23)20(26)27/h2-6,11-12H,7-10H2,1H3,(H,22,25)(H,26,27)