4-[[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]furan-2-yl]carbonylamino]methyl]benzoate

Systemtic Name: 4-[[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]furan-2-yl]carbonylamino]methyl]benzoate Openeye Name: 4-[[[5-[(4-chloro-3-methyl-phenoxy)methyl]furan-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[5-[(4-chloro-3-methylphenoxy)methyl]-2-furanyl]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[5-[(4-chloro-3-methyl-phenoxy)methyl]-2-furoyl]amino]methyl]benzoate Formula: C21H17ClNO5- MolecularWeight: 398.81638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(O2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C21H18ClNO5/c1-13-10-16(6-8-18(13)22)27-12-17-7-9-19(28-17)20(24)23-11-14-2-4-15(5-3-14)21(25)26/h2-10H,11-12H2,1H3,(H,23,24)(H,25,26)/p-1