4-[[3-(3-carbamimidoylphenyl)-5-methyl-phenyl]methoxymethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[3-(3-carbamimidoylphenyl)-5-methyl-phenyl]methoxymethyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-(3-carbamimidoylphenyl)-5-methyl-phenyl]methoxymethyl]cyclohexanecarboxylic acid CAS Name: 4-[[3-(3-carbamimidoylphenyl)-5-methylphenyl]methoxymethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-(3-carbamimidoylphenyl)-5-methylphenyl]methoxymethyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-(3-amidinophenyl)-5-methyl-benzyl]oxymethyl]cyclohexanecarboxylic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COCC3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H28N2O3/c1-15-9-17(14-28-13-16-5-7-18(8-6-16)23(26)27)11-21(10-15)19-3-2-4-20(12-19)22(24)25/h2-4,9-12,16,18H,5-8,13-14H2,1H3,(H3,24,25)(H,26,27)