methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methoxycyclohexyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methoxycyclohexyl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methoxycyclohexanecarbonyl)amino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[(4-methoxycyclohexyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methoxycyclohexanecarbonyl)amino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(4-methoxycyclohexanecarbonyl)amino]methyl]benzoic acid methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC(CC1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

COC1CCC(CC1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C24H29N3O4/c1-30-21-8-6-16(7-9-21)23(28)27-14-15-10-19(13-20(11-15)24(29)31-2)17-4-3-5-18(12-17)22(25)26/h3-5,10-13,16,21H,6-9,14H2,1-2H3,(H3,25,26)(H,27,28)