(1S,2R)-1-(2-methoxyphenyl)-2-(pyrrol-1-ylmethyl)cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2R)-1-(2-methoxyphenyl)-2-(pyrrol-1-ylmethyl)cyclopropane-1-carboxylic acid Openeye Name: (1S,2R)-1-(2-methoxyphenyl)-2-(pyrrol-1-ylmethyl)cyclopropanecarboxylic acid CAS Name: (1S,2R)-1-(2-methoxyphenyl)-2-(1-pyrrolylmethyl)-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2R)-1-(2-methoxyphenyl)-2-(pyrrol-1-ylmethyl)cyclopropane-1-carboxylic acid Traditional Name: (1S,2R)-1-(2-methoxyphenyl)-2-(pyrrol-1-ylmethyl)cyclopropanecarboxylic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2(CC2CN3C=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1[C@@]2(C[C@H]2CN3C=CC=C3)C(=O)O

InChI

InChI=1S/C16H17NO3/c1-20-14-7-3-2-6-13(14)16(15(18)19)10-12(16)11-17-8-4-5-9-17/h2-9,12H,10-11H2,1H3,(H,18,19)/t12-,16-/m0/s1