5-[[4-chloranyl-5-[(ethoxycarbonylamino)methyl]-1H-imidazol-2-yl]methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[[4-chloranyl-5-[(ethoxycarbonylamino)methyl]-1H-imidazol-2-yl]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[4-chloro-5-[(ethoxycarbonylamino)methyl]-1H-imidazol-2-yl]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[4-chloro-5-[(ethoxycarbonylamino)methyl]-1H-imidazol-2-yl]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[4-chloro-5-[(ethoxycarbonylamino)methyl]-1H-imidazol-2-yl]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[5-[(carbethoxyamino)methyl]-4-chloro-1H-imidazol-2-yl]methyl]-2-phenyl-benzoic acid Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCC1=C(N=C(N1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)Cl

Isomeric SMILES

CCOC(=O)NCC1=C(N=C(N1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)Cl

InChI

InChI=1S/C21H20ClN3O4/c1-2-29-21(28)23-12-17-19(22)25-18(24-17)11-13-8-9-15(16(10-13)20(26)27)14-6-4-3-5-7-14/h3-10H,2,11-12H2,1H3,(H,23,28)(H,24,25)(H,26,27)