1-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid Openeye Name: 1-[[(E)-3-(5-methyl-2-furyl)prop-2-enoyl]amino]cycloheptanecarboxylic acid CAS Name: 1-[[(E)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[(E)-3-(5-methyl-2-furyl)acryloyl]amino]cycloheptanecarboxylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=CC(=O)NC2(CCCCCC2)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)/C=C/C(=O)NC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-12-6-7-13(21-12)8-9-14(18)17-16(15(19)20)10-4-2-3-5-11-16/h6-9H,2-5,10-11H2,1H3,(H,17,18)(H,19,20)/b9-8+