1-(1-anthracen-9-ylcarbonylpyrrolidin-3-yl)piperidine-3-carboxylic acid

Systemtic Name: 1-(1-anthracen-9-ylcarbonylpyrrolidin-3-yl)piperidine-3-carboxylic acid Openeye Name: 1-[1-(anthracene-9-carbonyl)pyrrolidin-3-yl]piperidine-3-carboxylic acid CAS Name: 1-[1-[9-anthracenyl(oxo)methyl]-3-pyrrolidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(anthracene-9-carbonyl)pyrrolidin-3-yl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(anthracene-9-carbonyl)pyrrolidin-3-yl]nipecotic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(C2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(C2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C25H26N2O3/c28-24(27-13-11-20(16-27)26-12-5-8-19(15-26)25(29)30)23-21-9-3-1-6-17(21)14-18-7-2-4-10-22(18)23/h1-4,6-7,9-10,14,19-20H,5,8,11-13,15-16H2,(H,29,30)