methyl 3-[(4-aminocarbonylcyclohexyl)methoxymethyl]-5-(3-carbamimidoylphenyl)benzoate

Systemtic Name: methyl 3-[(4-aminocarbonylcyclohexyl)methoxymethyl]-5-(3-carbamimidoylphenyl)benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(4-carbamoylcyclohexyl)methoxymethyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[(4-carbamoylcyclohexyl)methoxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[(4-carbamoylcyclohexyl)methoxymethyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(4-carbamoylcyclohexyl)methoxymethyl]benzoic acid methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4/c1-30-24(29)21-10-16(14-31-13-15-5-7-17(8-6-15)23(27)28)9-20(12-21)18-3-2-4-19(11-18)22(25)26/h2-4,9-12,15,17H,5-8,13-14H2,1H3,(H3,25,26)(H2,27,28)