4-(3-but-2-ynoxy-4-methoxy-phenyl)-3-(1-hydroxyethyl)-3-methyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 4-(3-but-2-ynoxy-4-methoxy-phenyl)-3-(1-hydroxyethyl)-3-methyl-pyrrolidine-1-carboxylic acid Openeye Name: 4-(3-but-2-ynoxy-4-methoxy-phenyl)-3-(1-hydroxyethyl)-3-methyl-pyrrolidine-1-carboxylic acid CAS Name: 4-(3-but-2-ynoxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-3-methyl-1-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-but-2-ynoxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-3-methylpyrrolidine-1-carboxylic acid Traditional Name: 4-(3-but-2-ynoxy-4-methoxy-phenyl)-3-(1-hydroxyethyl)-3-methyl-pyrrolidine-1-carboxylic acid Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=C(C=CC(=C1)C2CN(CC2(C)C(C)O)C(=O)O)OC

Isomeric SMILES

CC#CCOC1=C(C=CC(=C1)C2CN(CC2(C)C(C)O)C(=O)O)OC

InChI

InChI=1S/C19H25NO5/c1-5-6-9-25-17-10-14(7-8-16(17)24-4)15-11-20(18(22)23)12-19(15,3)13(2)21/h7-8,10,13,15,21H,9,11-12H2,1-4H3,(H,22,23)