butyl 4-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]benzoate Openeye Name: butyl 4-[(3-methyl-2-ureido-pentanoyl)amino]benzoate CAS Name: 4-[[2-(carbamoylamino)-3-methyl-1-oxopentyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzoate Traditional Name: 4-[(3-methyl-2-ureido-pentanoyl)amino]benzoic acid butyl ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)CC)NC(=O)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)CC)NC(=O)N

InChI

InChI=1S/C18H27N3O4/c1-4-6-11-25-17(23)13-7-9-14(10-8-13)20-16(22)15(12(3)5-2)21-18(19)24/h7-10,12,15H,4-6,11H2,1-3H3,(H,20,22)(H3,19,21,24)