4-[(3-chlorophenyl)carbonylamino]-5-(2-ethylhexylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(3-chlorophenyl)carbonylamino]-5-(2-ethylhexylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3-chlorobenzoyl)amino]-5-(2-ethylhexylamino)-5-oxo-pentanoic acid CAS Name: 4-[[(3-chlorophenyl)-oxomethyl]amino]-5-(2-ethylhexylamino)-5-oxopentanoic acid IUPAC Name: 4-[(3-chlorobenzoyl)amino]-5-(2-ethylhexylamino)-5-oxopentanoic acid Traditional Name: 4-[(3-chlorobenzoyl)amino]-5-(2-ethylhexylamino)-5-keto-valeric acid Formula: C20H29ClN2O4 MolecularWeight: 396.90826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C(CCC(=O)O)NC(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CCCCC(CC)CNC(=O)C(CCC(=O)O)NC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C20H29ClN2O4/c1-3-5-7-14(4-2)13-22-20(27)17(10-11-18(24)25)23-19(26)15-8-6-9-16(21)12-15/h6,8-9,12,14,17H,3-5,7,10-11,13H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)