methyl 4-[[(2R)-2-(4-chlorophenyl)-1-oxidanyl-but-3-yn-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[(2R)-2-(4-chlorophenyl)-1-oxidanyl-but-3-yn-2-yl]amino]benzoate Openeye Name: methyl 4-[[(1R)-1-(4-chlorophenyl)-1-(hydroxymethyl)prop-2-ynyl]amino]benzoate CAS Name: 4-[[(2R)-2-(4-chlorophenyl)-1-hydroxybut-3-yn-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-(4-chlorophenyl)-1-hydroxybut-3-yn-2-yl]amino]benzoate Traditional Name: 4-[[(1R)-1-(4-chlorophenyl)-1-methylol-prop-2-ynyl]amino]benzoic acid methyl ester Formula: C18H16ClNO3 MolecularWeight: 329.77754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(CO)(C#C)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N[C@](CO)(C#C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H16ClNO3/c1-3-18(12-21,14-6-8-15(19)9-7-14)20-16-10-4-13(5-11-16)17(22)23-2/h1,4-11,20-21H,12H2,2H3/t18-/m0/s1