1-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-(4-pyridylmethylamino)ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(4-pyridylmethylamino)ethyl]cycloheptanecarboxylic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NCC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C16H22N2O3/c19-14(18-12-13-5-9-17-10-6-13)11-16(15(20)21)7-3-1-2-4-8-16/h5-6,9-10H,1-4,7-8,11-12H2,(H,18,19)(H,20,21)