5-[[(1R,6R)-6-carboxylatocyclohex-3-en-1-yl]carbonylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: 5-[[(1R,6R)-6-carboxylatocyclohex-3-en-1-yl]carbonylamino]-2-morpholin-4-yl-benzoate Openeye Name: 5-[[(1R,6R)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]-2-morpholino-benzoate CAS Name: 5-[[[(1R,6R)-6-carboxylato-1-cyclohex-3-enyl]-oxomethyl]amino]-2-(4-morpholinyl)benzoate IUPAC Name: 5-[[(1R,6R)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[(1R,6R)-6-carboxylatocyclohex-3-ene-1-carbonyl]amino]-2-morpholino-benzoate Formula: C19H20N2O6-2 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)C3CC=CCC3C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H22N2O6/c22-17(13-3-1-2-4-14(13)18(23)24)20-12-5-6-16(15(11-12)19(25)26)21-7-9-27-10-8-21/h1-2,5-6,11,13-14H,3-4,7-10H2,(H,20,22)(H,23,24)(H,25,26)/p-2/t13-,14-/m1/s1