2-[benzimidazol-1-yl-(butoxycarbonylamino)methyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[benzimidazol-1-yl-(butoxycarbonylamino)methyl]-5-methoxy-benzoic acid Openeye Name: 2-[benzimidazol-1-yl-(butoxycarbonylamino)methyl]-5-methoxy-benzoic acid CAS Name: 2-[1-benzimidazolyl-[[butoxy(oxo)methyl]amino]methyl]-5-methoxybenzoic acid IUPAC Name: 2-[benzimidazol-1-yl-(butoxycarbonylamino)methyl]-5-methoxybenzoic acid Traditional Name: 2-[benzimidazol-1-yl-(butoxycarbonylamino)methyl]-5-methoxy-benzoic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(C1=C(C=C(C=C1)OC)C(=O)O)N2C=NC3=CC=CC=C32

Isomeric SMILES

CCCCOC(=O)NC(C1=C(C=C(C=C1)OC)C(=O)O)N2C=NC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O5/c1-3-4-11-29-21(27)23-19(24-13-22-17-7-5-6-8-18(17)24)15-10-9-14(28-2)12-16(15)20(25)26/h5-10,12-13,19H,3-4,11H2,1-2H3,(H,23,27)(H,25,26)