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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methylcyclohexyl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methylcyclohexanecarbonyl)amino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[(4-methylcyclohexyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methylcyclohexanecarbonyl)amino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(4-methylcyclohexanecarbonyl)amino]methyl]benzoic acid methyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CC1CCC(CC1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C24H29N3O3/c1-15-6-8-17(9-7-15)23(28)27-14-16-10-20(13-21(11-16)24(29)30-2)18-4-3-5-19(12-18)22(25)26/h3-5,10-13,15,17H,6-9,14H2,1-2H3,(H3,25,26)(H,27,28)