(2E)-2-[4-azanyl-7-(4-ethoxyphenyl)-8-bicyclo[4.2.0]octa-1(6),2,4-trienylidene]butanoic acid

Systemtic Name: (2E)-2-[4-azanyl-7-(4-ethoxyphenyl)-8-bicyclo[4.2.0]octa-1(6),2,4-trienylidene]butanoic acid Openeye Name: (2E)-2-[4-amino-7-(4-ethoxyphenyl)-8-bicyclo[4.2.0]octa-1(6),2,4-trienylidene]butanoic acid CAS Name: (2E)-2-[4-amino-7-(4-ethoxyphenyl)-8-bicyclo[4.2.0]octa-1(6),2,4-trienylidene]butanoic acid IUPAC Name: (2E)-2-[4-amino-7-(4-ethoxyphenyl)-8-bicyclo[4.2.0]octa-1(6),2,4-trienylidene]butanoic acid Traditional Name: (2E)-2-(4-amino-7-p-phenetyl-8-bicyclo[4.2.0]octa-1(6),2,4-trienylidene)butyric acid Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(C2=C1C=CC(=C2)N)C3=CC=C(C=C3)OCC)C(=O)O

Isomeric SMILES

CC/C(=C\1/C(C2=C1C=CC(=C2)N)C3=CC=C(C=C3)OCC)/C(=O)O

InChI

InChI=1S/C20H21NO3/c1-3-15(20(22)23)19-16-10-7-13(21)11-17(16)18(19)12-5-8-14(9-6-12)24-4-2/h5-11,18H,3-4,21H2,1-2H3,(H,22,23)/b19-15-