methyl 2-chloranyl-4-[(3-oxidanyl-5-prop-2-ynoxy-phenyl)methylcarbamoyl]benzoate

Systemtic Name: methyl 2-chloranyl-4-[(3-oxidanyl-5-prop-2-ynoxy-phenyl)methylcarbamoyl]benzoate Openeye Name: methyl 2-chloro-4-[(3-hydroxy-5-prop-2-ynoxy-phenyl)methylcarbamoyl]benzoate CAS Name: 2-chloro-4-[[(3-hydroxy-5-prop-2-ynoxyphenyl)methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-[(3-hydroxy-5-prop-2-ynoxyphenyl)methylcarbamoyl]benzoate Traditional Name: 2-chloro-4-[(3-hydroxy-5-propargyloxy-benzyl)carbamoyl]benzoic acid methyl ester Formula: C19H16ClNO5 MolecularWeight: 373.78704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC(=CC(=C2)OCC#C)O)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C(=O)NCC2=CC(=CC(=C2)OCC#C)O)Cl

InChI

InChI=1S/C19H16ClNO5/c1-3-6-26-15-8-12(7-14(22)10-15)11-21-18(23)13-4-5-16(17(20)9-13)19(24)25-2/h1,4-5,7-10,22H,6,11H2,2H3,(H,21,23)