2-[2-[(4-butoxycarbonyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-[(4-butoxycarbonyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-(4-butoxycarbonyl-3-chloro-anilino)-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-[4-[butoxy(oxo)methyl]-3-chloroanilino]-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-(4-butoxycarbonyl-3-chloroanilino)-2-oxoethyl]benzoic acid Traditional Name: 2-[2-(4-butoxycarbonyl-3-chloro-anilino)-2-keto-ethyl]benzoic acid Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CC2=CC=CC=C2C(=O)O)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)CC2=CC=CC=C2C(=O)O)Cl

InChI

InChI=1S/C20H20ClNO5/c1-2-3-10-27-20(26)16-9-8-14(12-17(16)21)22-18(23)11-13-6-4-5-7-15(13)19(24)25/h4-9,12H,2-3,10-11H2,1H3,(H,22,23)(H,24,25)