2-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate; morpholin-4-ium

Systemtic Name: 2-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate; morpholin-4-ium Openeye Name: 2-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate; morpholin-4-ium CAS Name: 2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoate; morpholin-4-ium IUPAC Name: 2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate; morpholin-4-ium Traditional Name: 2-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]benzoate; morpholin-4-ium Formula: C21H24N2O6 MolecularWeight: 400.42506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)[O-])O.C1COCC[NH2+]1

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)[O-])O.C1COCC[NH2+]1

InChI

InChI=1S/C17H15NO5.C4H9NO/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22;1-3-6-4-2-5-1/h2-10,19H,1H3,(H,18,20)(H,21,22);5H,1-4H2/b9-7+;