1-[(3-ethoxy-4-methoxy-phenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-thiophen-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-thienyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(3-thiophenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(3-thienyl)methyl]proline Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CSC=C2)N3CCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CSC=C2)N3CCCC3C(=O)O)OC

InChI

InChI=1S/C19H23NO4S/c1-3-24-17-11-13(6-7-16(17)23-2)18(14-8-10-25-12-14)20-9-4-5-15(20)19(21)22/h6-8,10-12,15,18H,3-5,9H2,1-2H3,(H,21,22)