4-[(4-chloranyl-1-oxidanylidene-3-phenethyloxy-isochromen-7-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-chloranyl-1-oxidanylidene-3-phenethyloxy-isochromen-7-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-chloro-1-oxo-3-phenethyloxy-isochromen-7-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(4-chloro-1-oxo-3-phenethyloxy-2-benzopyran-7-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(4-chloro-1-oxo-3-phenethyloxyisochromen-7-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(4-chloro-1-keto-3-phenethyloxy-isochromen-7-yl)amino]-4-keto-butyric acid Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C3=C(C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C3=C(C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O2)Cl

InChI

InChI=1S/C21H18ClNO6/c22-19-15-7-6-14(23-17(24)8-9-18(25)26)12-16(15)20(27)29-21(19)28-11-10-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,23,24)(H,25,26)