2-[[7-chloranyl-3-(phenylmethyl)-1,2-benzoxazol-6-yl]oxy]butanoate

Systemtic Name: 2-[[7-chloranyl-3-(phenylmethyl)-1,2-benzoxazol-6-yl]oxy]butanoate Openeye Name: 2-[(3-benzyl-7-chloro-1,2-benzoxazol-6-yl)oxy]butanoate CAS Name: 2-[[7-chloro-3-(phenylmethyl)-1,2-benzoxazol-6-yl]oxy]butanoate IUPAC Name: 2-[(3-benzyl-7-chloro-1,2-benzoxazol-6-yl)oxy]butanoate Traditional Name: 2-(3-benzyl-7-chloro-indoxazen-6-yl)oxybutyrate Formula: C18H15ClNO4- MolecularWeight: 344.769

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=C(C2=C(C=C1)C(=NO2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCC(C(=O)[O-])OC1=C(C2=C(C=C1)C(=NO2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H16ClNO4/c1-2-14(18(21)22)23-15-9-8-12-13(20-24-17(12)16(15)19)10-11-6-4-3-5-7-11/h3-9,14H,2,10H2,1H3,(H,21,22)/p-1