4-[methyl(pyrrolidin-1-ylcarbonyl)amino]-4-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[methyl(pyrrolidin-1-ylcarbonyl)amino]-4-phenyl-piperidine-1-carboxylic acid Openeye Name: 4-[methyl(pyrrolidine-1-carbonyl)amino]-4-phenyl-piperidine-1-carboxylic acid CAS Name: 4-[methyl-[oxo(1-pyrrolidinyl)methyl]amino]-4-phenyl-1-piperidinecarboxylic acid IUPAC Name: 4-[methyl(pyrrolidine-1-carbonyl)amino]-4-phenylpiperidine-1-carboxylic acid Traditional Name: 4-[methyl(pyrrolidine-1-carbonyl)amino]-4-phenyl-piperidine-1-carboxylic acid Formula: C18H25N3O3 MolecularWeight: 331.4094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)N1CCCC1)C2(CCN(CC2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN(C(=O)N1CCCC1)C2(CCN(CC2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H25N3O3/c1-19(16(22)20-11-5-6-12-20)18(15-7-3-2-4-8-15)9-13-21(14-10-18)17(23)24/h2-4,7-8H,5-6,9-14H2,1H3,(H,23,24)