2-[4-[2-(1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl)oxyethyl]piperazin-1-yl]carbonylpyrrolidine-1-carboxylic acid

Systemtic Name: 2-[4-[2-(1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl)oxyethyl]piperazin-1-yl]carbonylpyrrolidine-1-carboxylic acid Openeye Name: 2-[4-[2-(1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl)oxyethyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[4-[2-[(1-cyano-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]ethyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[4-[2-(1-cyano-4-phenylcyclohexa-2,5-dien-1-yl)oxyethyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[4-[2-(1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl)oxyethyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)O)C(=O)N2CCN(CC2)CCOC3(C=CC(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)O)C(=O)N2CCN(CC2)CCOC3(C=CC(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H30N4O4/c26-19-25(10-8-21(9-11-25)20-5-2-1-3-6-20)33-18-17-27-13-15-28(16-14-27)23(30)22-7-4-12-29(22)24(31)32/h1-3,5-6,8-11,21-22H,4,7,12-18H2,(H,31,32)