4-azanyl-2-[(3-azanyl-6-carboxy-2-methyl-phenyl)methyl]-3-methyl-benzoic acid

Systemtic Name: 4-azanyl-2-[(3-azanyl-6-carboxy-2-methyl-phenyl)methyl]-3-methyl-benzoic acid Openeye Name: 4-amino-2-[(3-amino-6-carboxy-2-methyl-phenyl)methyl]-3-methyl-benzoic acid CAS Name: 4-amino-2-[(3-amino-6-carboxy-2-methylphenyl)methyl]-3-methylbenzoic acid IUPAC Name: 4-amino-2-[(3-amino-6-carboxy-2-methylphenyl)methyl]-3-methylbenzoic acid Traditional Name: 4-amino-2-(3-amino-6-carboxy-2-methyl-benzyl)-3-methyl-benzoic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CC2=C(C=CC(=C2C)N)C(=O)O)C(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1CC2=C(C=CC(=C2C)N)C(=O)O)C(=O)O)N

InChI

InChI=1S/C17H18N2O4/c1-8-12(10(16(20)21)3-5-14(8)18)7-13-9(2)15(19)6-4-11(13)17(22)23/h3-6H,7,18-19H2,1-2H3,(H,20,21)(H,22,23)