4-[[[1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[1-[(4-chloro-3-methylphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carbonyl]amino]methyl]benzoic acid Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NCC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCN2C=CC(=N2)C(=O)NCC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C20H18ClN3O4/c1-13-10-16(6-7-17(13)21)28-12-24-9-8-18(23-24)19(25)22-11-14-2-4-15(5-3-14)20(26)27/h2-10H,11-12H2,1H3,(H,22,25)(H,26,27)