1-anthracen-9-ylcarbonyl-2-pyrrolidin-3-yl-piperidine-3-carboxylic acid

Systemtic Name: 1-anthracen-9-ylcarbonyl-2-pyrrolidin-3-yl-piperidine-3-carboxylic acid Openeye Name: 1-(anthracene-9-carbonyl)-2-pyrrolidin-3-yl-piperidine-3-carboxylic acid CAS Name: 1-[9-anthracenyl(oxo)methyl]-2-(3-pyrrolidinyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(anthracene-9-carbonyl)-2-pyrrolidin-3-ylpiperidine-3-carboxylic acid Traditional Name: 1-(anthracene-9-carbonyl)-2-pyrrolidin-3-yl-nipecotic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)C5CCNC5)C(=O)O

Isomeric SMILES

C1CC(C(N(C1)C(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42)C5CCNC5)C(=O)O

InChI

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