ethyl 4-[[(2S)-4-methyl-2-[(4-methylcyclohexyl)carbonylamino]pentanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-4-methyl-2-[(4-methylcyclohexyl)carbonylamino]pentanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]benzoate CAS Name: 4-[[(2S)-4-methyl-2-[[(4-methylcyclohexyl)-oxomethyl]amino]-1-oxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]benzoate Traditional Name: 4-[[(2S)-4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoyl]amino]benzoic acid ethyl ester Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC(C)C)NC(=O)C2CCC(CC2)C

InChI

InChI=1S/C23H34N2O4/c1-5-29-23(28)18-10-12-19(13-11-18)24-22(27)20(14-15(2)3)25-21(26)17-8-6-16(4)7-9-17/h10-13,15-17,20H,5-9,14H2,1-4H3,(H,24,27)(H,25,26)/t16?,17?,20-/m0/s1