1-anthracen-9-ylcarbonyl-2-piperidin-4-yl-azepane-3-carboxylic acid

Systemtic Name: 1-anthracen-9-ylcarbonyl-2-piperidin-4-yl-azepane-3-carboxylic acid Openeye Name: 1-(anthracene-9-carbonyl)-2-(4-piperidyl)azepane-3-carboxylic acid CAS Name: 1-[9-anthracenyl(oxo)methyl]-2-(4-piperidinyl)-3-azepanecarboxylic acid IUPAC Name: 1-(anthracene-9-carbonyl)-2-piperidin-4-ylazepane-3-carboxylic acid Traditional Name: 1-(anthracene-9-carbonyl)-2-(4-piperidyl)azepane-3-carboxylic acid Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C(C1)C(=O)O)C2CCNCC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1CCN(C(C(C1)C(=O)O)C2CCNCC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C27H30N2O3/c30-26(24-21-9-3-1-7-19(21)17-20-8-2-4-10-22(20)24)29-16-6-5-11-23(27(31)32)25(29)18-12-14-28-15-13-18/h1-4,7-10,17-18,23,25,28H,5-6,11-16H2,(H,31,32)