4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-pyrrol-1-ylpropyl)pyrrolidine-1-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-pyrrol-1-ylpropyl)pyrrolidine-1-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-pyrrol-1-ylpropyl)pyrrolidine-1-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-2-[3-(1-pyrrolyl)propyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-pyrrol-1-ylpropyl)pyrrolidine-1-carboxylic acid Traditional Name: 4-(p-anisylthio)-2-(3-pyrrol-1-ylpropyl)pyrrolidine-1-carboxylic acid Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)O)CCCN3C=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)O)CCCN3C=CC=C3

InChI

InChI=1S/C20H26N2O3S/c1-25-18-8-6-16(7-9-18)15-26-19-13-17(22(14-19)20(23)24)5-4-12-21-10-2-3-11-21/h2-3,6-11,17,19H,4-5,12-15H2,1H3,(H,23,24)