methyl 3-azanyl-4-[[3-(imidazol-1-ylmethyl)phenyl]amino]benzoate

Systemtic Name: methyl 3-azanyl-4-[[3-(imidazol-1-ylmethyl)phenyl]amino]benzoate Openeye Name: methyl 3-amino-4-[3-(imidazol-1-ylmethyl)anilino]benzoate CAS Name: 3-amino-4-[3-(1-imidazolylmethyl)anilino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[3-(imidazol-1-ylmethyl)anilino]benzoate Traditional Name: 3-amino-4-[3-(imidazol-1-ylmethyl)anilino]benzoic acid methyl ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)CN3C=CN=C3)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)CN3C=CN=C3)N

InChI

InChI=1S/C18H18N4O2/c1-24-18(23)14-5-6-17(16(19)10-14)21-15-4-2-3-13(9-15)11-22-8-7-20-12-22/h2-10,12,21H,11,19H2,1H3