1-[2-[10-[2-(3-carboxypiperidin-1-yl)ethoxy]anthracen-9-yl]oxyethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[10-[2-(3-carboxypiperidin-1-yl)ethoxy]anthracen-9-yl]oxyethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[[10-[2-(3-carboxy-1-piperidyl)ethoxy]-9-anthryl]oxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[[10-[2-(3-carboxy-1-piperidinyl)ethoxy]-9-anthracenyl]oxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[10-[2-(3-carboxypiperidin-1-yl)ethoxy]anthracen-9-yl]oxyethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[[10-[2-(3-carboxypiperidino)ethoxy]-9-anthryl]oxy]ethyl]nipecotic acid Formula: C30H36N2O6 MolecularWeight: 520.61664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCOC2=C3C=CC=CC3=C(C4=CC=CC=C42)OCCN5CCCC(C5)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCOC2=C3C=CC=CC3=C(C4=CC=CC=C42)OCCN5CCCC(C5)C(=O)O)C(=O)O

InChI

InChI=1S/C30H36N2O6/c33-29(34)21-7-5-13-31(19-21)15-17-37-27-23-9-1-2-10-24(23)28(26-12-4-3-11-25(26)27)38-18-16-32-14-6-8-22(20-32)30(35)36/h1-4,9-12,21-22H,5-8,13-20H2,(H,33,34)(H,35,36)