2-azanylbenzoate; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate

Systemtic Name: 2-azanylbenzoate; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate Openeye Name: 2-aminobenzoate; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate CAS Name: 2-aminobenzoate; N-[1-[butylamino(oxo)methyl]-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: 2-aminobenzoate; methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate Traditional Name: anthranilate; N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamic acid methyl ester Formula: C21H24N5O5- MolecularWeight: 426.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC.C1=CC=C(C(=C1)C(=O)[O-])N

Isomeric SMILES

CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC.C1=CC=C(C(=C1)C(=O)[O-])N

InChI

InChI=1S/C14H18N4O3.C7H7NO2/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2;8-6-4-2-1-3-5(6)7(9)10/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20);1-4H,8H2,(H,9,10)/p-1