2-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[(2-isopropylimidazol-1-yl)methyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[(2-propan-2-yl-1-imidazolyl)methyl]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[(2-isopropylimidazol-1-yl)methyl]phenyl]carbamoyl]benzoic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)C1=NC=CN1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H21N3O3/c1-14(2)19-22-11-12-24(19)13-15-7-9-16(10-8-15)23-20(25)17-5-3-4-6-18(17)21(26)27/h3-12,14H,13H2,1-2H3,(H,23,25)(H,26,27)