2-[4-(2-carboxyphenyl)iminobutan-2-ylamino]benzoic acid

Systemtic Name: 2-[4-(2-carboxyphenyl)iminobutan-2-ylamino]benzoic acid Openeye Name: 2-[[3-(2-carboxyphenyl)imino-1-methyl-propyl]amino]benzoic acid CAS Name: 2-[4-(2-carboxyphenyl)iminobutan-2-ylamino]benzoic acid IUPAC Name: 2-[4-(2-carboxyphenyl)iminobutan-2-ylamino]benzoic acid Traditional Name: 2-[[3-(2-carboxyphenyl)imino-1-methyl-propyl]amino]benzoic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=NC1=CC=CC=C1C(=O)O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(CC=NC1=CC=CC=C1C(=O)O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H18N2O4/c1-12(20-16-9-5-3-7-14(16)18(23)24)10-11-19-15-8-4-2-6-13(15)17(21)22/h2-9,11-12,20H,10H2,1H3,(H,21,22)(H,23,24)