1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]azepane-4-carboxylic acid

Systemtic Name: 1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]azepane-4-carboxylic acid Openeye Name: 1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]azepane-4-carboxylic acid CAS Name: 1-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-4-azepanecarboxylic acid IUPAC Name: 1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]azepane-4-carboxylic acid Traditional Name: 1-[(E)-3-(2-chlorophenyl)acryloyl]azepane-4-carboxylic acid Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C=CC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

C1CC(CCN(C1)C(=O)/C=C/C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C16H18ClNO3/c17-14-6-2-1-4-12(14)7-8-15(19)18-10-3-5-13(9-11-18)16(20)21/h1-2,4,6-8,13H,3,5,9-11H2,(H,20,21)/b8-7+