1-[1-(1,2,3,4-tetrahydroanthracen-9-ylcarbonyl)piperidin-4-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(1,2,3,4-tetrahydroanthracen-9-ylcarbonyl)piperidin-4-yl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(1,2,3,4-tetrahydroanthracene-9-carbonyl)-4-piperidyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[oxo(1,2,3,4-tetrahydroanthracen-9-yl)methyl]-4-piperidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(1,2,3,4-tetrahydroanthracene-9-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(1,2,3,4-tetrahydroanthracene-9-carbonyl)-4-piperidyl]nipecotic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C3=CC=CC=C3C=C2C1)C(=O)N4CCC(CC4)N5CCCC(C5)C(=O)O

Isomeric SMILES

C1CCC2=C(C3=CC=CC=C3C=C2C1)C(=O)N4CCC(CC4)N5CCCC(C5)C(=O)O

InChI

InChI=1S/C26H32N2O3/c29-25(24-22-9-3-1-6-18(22)16-19-7-2-4-10-23(19)24)27-14-11-21(12-15-27)28-13-5-8-20(17-28)26(30)31/h1,3,6,9,16,20-21H,2,4-5,7-8,10-15,17H2,(H,30,31)