methyl 4-[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]cyclohexanecarboxylate CAS Name: 4-[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]cyclohexane-1-carboxylate Traditional Name: 4-[5-(4-amidinophenyl)-2-methoxy-phenyl]cyclohexanecarboxylic acid methyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=N)N)C3CCC(CC3)C(=O)OC

InChI

InChI=1S/C22H26N2O3/c1-26-20-12-11-18(14-3-7-16(8-4-14)21(23)24)13-19(20)15-5-9-17(10-6-15)22(25)27-2/h3-4,7-8,11-13,15,17H,5-6,9-10H2,1-2H3,(H3,23,24)