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

Systemtic Name: 4-[[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]furan-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[5-[(4-chloro-3-methyl-phenoxy)methyl]furan-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[5-[(4-chloro-3-methylphenoxy)methyl]-2-furanyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[5-[(4-chloro-3-methyl-phenoxy)methyl]-2-furoyl]amino]methyl]benzoic acid Formula: C21H18ClNO5 MolecularWeight: 399.82432

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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)