6-chloranyl-2-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]amino]pyridine-3-carboxylic acid Openeye Name: 2-[3-[(tert-butoxycarbonylamino)methyl]anilino]-6-chloro-pyridine-3-carboxylic acid CAS Name: 6-chloro-2-[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]anilino]-3-pyridinecarboxylic acid IUPAC Name: 6-chloro-2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]anilino]pyridine-3-carboxylic acid Traditional Name: 2-[3-[(tert-butoxycarbonylamino)methyl]anilino]-6-chloro-nicotinic acid Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)NC2=C(C=CC(=N2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)NC2=C(C=CC(=N2)Cl)C(=O)O

InChI

InChI=1S/C18H20ClN3O4/c1-18(2,3)26-17(25)20-10-11-5-4-6-12(9-11)21-15-13(16(23)24)7-8-14(19)22-15/h4-9H,10H2,1-3H3,(H,20,25)(H,21,22)(H,23,24)