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

Systemtic Name: 2-[1-[3-[2-(butylcarbamoylamino)-3-methyl-phenoxy]propyl]imidazol-4-yl]prop-2-enoic acid Openeye Name: 2-[1-[3-[2-(butylcarbamoylamino)-3-methyl-phenoxy]propyl]imidazol-4-yl]prop-2-enoic acid CAS Name: 2-[1-[3-[2-[[butylamino(oxo)methyl]amino]-3-methylphenoxy]propyl]-4-imidazolyl]-2-propenoic acid IUPAC Name: 2-[1-[3-[2-(butylcarbamoylamino)-3-methylphenoxy]propyl]imidazol-4-yl]prop-2-enoic acid Traditional Name: 2-[1-[3-[2-(butylcarbamoylamino)-3-methyl-phenoxy]propyl]imidazol-4-yl]acrylic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4/c1-4-5-10-22-21(28)24-19-15(2)8-6-9-18(19)29-12-7-11-25-13-17(23-14-25)16(3)20(26)27/h6,8-9,13-14H,3-5,7,10-12H2,1-2H3,(H,26,27)(H2,22,24,28)