4-[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]cyclohexane-1-carboxylic acid; N-methylmethanamide

Systemtic Name: 4-[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]cyclohexane-1-carboxylic acid; N-methylmethanamide Openeye Name: 4-[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]cyclohexanecarboxylic acid; N-methylformamide CAS Name: 4-[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]-1-cyclohexanecarboxylic acid; N-methylformamide IUPAC Name: 4-[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]cyclohexane-1-carboxylic acid; N-methylformamide Traditional Name: 4-[5-(4-amidinophenyl)-2-methoxy-phenyl]cyclohexanecarboxylic acid; N-methylformamide Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3.C2H5NO/c1-26-19-11-10-17(13-2-6-15(7-3-13)20(22)23)12-18(19)14-4-8-16(9-5-14)21(24)25;1-3-2-4/h2-3,6-7,10-12,14,16H,4-5,8-9H2,1H3,(H3,22,23)(H,24,25);2H,1H3,(H,3,4)