1-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]cycloheptane-1-carboxylic acid Openeye Name: 1-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]cycloheptanecarboxylic acid CAS Name: 1-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[(E)-3-(3-pyridyl)acryloyl]amino]cycloheptanecarboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)C=CC2=CN=CC=C2

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)/C=C/C2=CN=CC=C2

InChI

InChI=1S/C16H20N2O3/c19-14(8-7-13-6-5-11-17-12-13)18-16(15(20)21)9-3-1-2-4-10-16/h5-8,11-12H,1-4,9-10H2,(H,18,19)(H,20,21)/b8-7+