3-[1-[3-[2-(butylcarbamoylamino)-3-methyl-phenoxy]propyl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-[1-[3-[2-(butylcarbamoylamino)-3-methyl-phenoxy]propyl]imidazol-4-yl]propanoic acid Openeye Name: 3-[1-[3-[2-(butylcarbamoylamino)-3-methyl-phenoxy]propyl]imidazol-4-yl]propanoic acid CAS Name: 3-[1-[3-[2-[[butylamino(oxo)methyl]amino]-3-methylphenoxy]propyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[1-[3-[2-(butylcarbamoylamino)-3-methylphenoxy]propyl]imidazol-4-yl]propanoic acid Traditional Name: 3-[1-[3-[2-(butylcarbamoylamino)-3-methyl-phenoxy]propyl]imidazol-4-yl]propionic acid Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(C=CC=C1OCCCN2C=C(N=C2)CCC(=O)O)C

Isomeric SMILES

CCCCNC(=O)NC1=C(C=CC=C1OCCCN2C=C(N=C2)CCC(=O)O)C

InChI

InChI=1S/C21H30N4O4/c1-3-4-11-22-21(28)24-20-16(2)7-5-8-18(20)29-13-6-12-25-14-17(23-15-25)9-10-19(26)27/h5,7-8,14-15H,3-4,6,9-13H2,1-2H3,(H,26,27)(H2,22,24,28)