2-[[5-[(4-butoxyphenyl)carbamoyl]-3-chloranyl-pyridin-2-yl]oxycarbonylamino]ethanoic acid

Systemtic Name: 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-chloranyl-pyridin-2-yl]oxycarbonylamino]ethanoic acid Openeye Name: 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-chloro-2-pyridyl]oxycarbonylamino]acetic acid CAS Name: 2-[[[5-[(4-butoxyanilino)-oxomethyl]-3-chloro-2-pyridinyl]oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-chloropyridin-2-yl]oxycarbonylamino]acetic acid Traditional Name: 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-chloro-2-pyridyl]oxycarbonylamino]acetic acid Formula: C19H20ClN3O6 MolecularWeight: 421.8316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(N=C2)OC(=O)NCC(=O)O)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(N=C2)OC(=O)NCC(=O)O)Cl

InChI

InChI=1S/C19H20ClN3O6/c1-2-3-8-28-14-6-4-13(5-7-14)23-17(26)12-9-15(20)18(21-10-12)29-19(27)22-11-16(24)25/h4-7,9-10H,2-3,8,11H2,1H3,(H,22,27)(H,23,26)(H,24,25)