methyl 4-[[5-(2-ethylhexylcarbamoylamino)-2-methyl-phenyl]carbamoylamino]pentanoate

Systemtic Name: methyl 4-[[5-(2-ethylhexylcarbamoylamino)-2-methyl-phenyl]carbamoylamino]pentanoate Openeye Name: methyl 4-[[5-(2-ethylhexylcarbamoylamino)-2-methyl-phenyl]carbamoylamino]pentanoate CAS Name: 4-[[[5-[[(2-ethylhexylamino)-oxomethyl]amino]-2-methylanilino]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-ethylhexylcarbamoylamino)-2-methylphenyl]carbamoylamino]pentanoate Traditional Name: 4-[[5-(2-ethylhexylcarbamoylamino)-2-methyl-phenyl]carbamoylamino]valeric acid methyl ester Formula: C23H38N4O4 MolecularWeight: 434.57222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)NC1=CC(=C(C=C1)C)NC(=O)NC(C)CCC(=O)OC

Isomeric SMILES

CCCCC(CC)CNC(=O)NC1=CC(=C(C=C1)C)NC(=O)NC(C)CCC(=O)OC

InChI

InChI=1S/C23H38N4O4/c1-6-8-9-18(7-2)15-24-22(29)26-19-12-10-16(3)20(14-19)27-23(30)25-17(4)11-13-21(28)31-5/h10,12,14,17-18H,6-9,11,13,15H2,1-5H3,(H2,24,26,29)(H2,25,27,30)