2-chloranyl-3-[ethyl-(3-oxidanylidene-3-propan-2-yloxy-2-propan-2-yloxycarbonyl-prop-1-enyl)amino]benzoic acid

Systemtic Name: 2-chloranyl-3-[ethyl-(3-oxidanylidene-3-propan-2-yloxy-2-propan-2-yloxycarbonyl-prop-1-enyl)amino]benzoic acid Openeye Name: 2-chloro-3-[ethyl-(3-isopropoxy-2-isopropoxycarbonyl-3-oxo-prop-1-enyl)amino]benzoic acid CAS Name: 2-chloro-3-[ethyl-[3-oxo-2-[oxo(propan-2-yloxy)methyl]-3-propan-2-yloxyprop-1-enyl]amino]benzoic acid IUPAC Name: 2-chloro-3-[ethyl-(3-oxo-3-propan-2-yloxy-2-propan-2-yloxycarbonylprop-1-enyl)amino]benzoic acid Traditional Name: 2-chloro-3-[ethyl-(3-isopropoxy-2-isopropoxycarbonyl-3-keto-prop-1-enyl)amino]benzoic acid Formula: C19H24ClNO6 MolecularWeight: 397.84996

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C=C(C(=O)OC(C)C)C(=O)OC(C)C)C1=CC=CC(=C1Cl)C(=O)O

Isomeric SMILES

CCN(C=C(C(=O)OC(C)C)C(=O)OC(C)C)C1=CC=CC(=C1Cl)C(=O)O

InChI

InChI=1S/C19H24ClNO6/c1-6-21(15-9-7-8-13(16(15)20)17(22)23)10-14(18(24)26-11(2)3)19(25)27-12(4)5/h7-12H,6H2,1-5H3,(H,22,23)