4-[5-[(4-carboxyphenyl)methyliminomethyl]furan-2-yl]-3-methyl-benzoic acid

Systemtic Name: 4-[5-[(4-carboxyphenyl)methyliminomethyl]furan-2-yl]-3-methyl-benzoic acid Openeye Name: 4-[5-[(4-carboxyphenyl)methyliminomethyl]-2-furyl]-3-methyl-benzoic acid CAS Name: 4-[5-[(4-carboxyphenyl)methyliminomethyl]-2-furanyl]-3-methylbenzoic acid IUPAC Name: 4-[5-[(4-carboxyphenyl)methyliminomethyl]furan-2-yl]-3-methylbenzoic acid Traditional Name: 4-[5-[(4-carboxybenzyl)iminomethyl]-2-furyl]-3-methyl-benzoic acid Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H17NO5/c1-13-10-16(21(25)26)6-8-18(13)19-9-7-17(27-19)12-22-11-14-2-4-15(5-3-14)20(23)24/h2-10,12H,11H2,1H3,(H,23,24)(H,25,26)