1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]azepane-3-carboxylic acid

Systemtic Name: 1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]azepane-3-carboxylic acid Openeye Name: 1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]azepane-3-carboxylic acid CAS Name: 1-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-3-azepanecarboxylic acid IUPAC Name: 1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]azepane-3-carboxylic acid Traditional Name: 1-[(E)-3-(2-chlorophenyl)acryloyl]azepane-3-carboxylic acid Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)C(=O)O)C(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

C1CCN(CC(C1)C(=O)O)C(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C16H18ClNO3/c17-14-7-2-1-5-12(14)8-9-15(19)18-10-4-3-6-13(11-18)16(20)21/h1-2,5,7-9,13H,3-4,6,10-11H2,(H,20,21)/b9-8+