ethyl 3-[[3-methyl-2-[(4-methylcyclohexyl)carbonylamino]butanoyl]amino]benzoate

Systemtic Name: ethyl 3-[[3-methyl-2-[(4-methylcyclohexyl)carbonylamino]butanoyl]amino]benzoate Openeye Name: ethyl 3-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoyl]amino]benzoate CAS Name: 3-[[3-methyl-2-[[(4-methylcyclohexyl)-oxomethyl]amino]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoyl]amino]benzoate Traditional Name: 3-[[3-methyl-2-[(4-methylcyclohexanecarbonyl)amino]butanoyl]amino]benzoic acid ethyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCC(CC2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCC(CC2)C

InChI

InChI=1S/C22H32N2O4/c1-5-28-22(27)17-7-6-8-18(13-17)23-21(26)19(14(2)3)24-20(25)16-11-9-15(4)10-12-16/h6-8,13-16,19H,5,9-12H2,1-4H3,(H,23,26)(H,24,25)