2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid hydrate

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid hydrate Openeye Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid hydrate CAS Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid hydrate IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid hydrate Traditional Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]benzoic acid hydrate Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC.O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC.O

InChI

InChI=1S/C18H17NO5.H2O/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22;/h3-11H,1-2H3,(H,19,20)(H,21,22);1H2/b10-8+;