1-(1-anthracen-9-ylcarbonylpiperidin-4-yl)azepane-3-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)C(=O)O)C2CCN(CC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1CCN(CC(C1)C(=O)O)C2CCN(CC2)C(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

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