ethyl 4-[[2-[(4-heptylcyclohexyl)carbonylamino]-3-methyl-pentanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(4-heptylcyclohexyl)carbonylamino]-3-methyl-pentanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[(4-heptylcyclohexanecarbonyl)amino]-3-methyl-pentanoyl]amino]benzoate CAS Name: 4-[[2-[[(4-heptylcyclohexyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-heptylcyclohexanecarbonyl)amino]-3-methylpentanoyl]amino]benzoate Traditional Name: 4-[[2-[(4-heptylcyclohexanecarbonyl)amino]-3-methyl-pentanoyl]amino]benzoic acid ethyl ester Formula: C29H46N2O4 MolecularWeight: 486.68654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)NC(C(C)CC)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)NC(C(C)CC)C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C29H46N2O4/c1-5-8-9-10-11-12-22-13-15-23(16-14-22)27(32)31-26(21(4)6-2)28(33)30-25-19-17-24(18-20-25)29(34)35-7-3/h17-23,26H,5-16H2,1-4H3,(H,30,33)(H,31,32)