4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-pyridylmethyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-pyridinylmethyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-pyridylmethyl)pyrrolidine-3-carboxylic acid Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(CN2CC3=CC=CC=N3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(CN2CC3=CC=CC=N3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C25H24N2O5/c1-30-19-8-5-16(6-9-19)24-23(25(28)29)20(14-27(24)13-18-4-2-3-11-26-18)17-7-10-21-22(12-17)32-15-31-21/h2-12,20,23-24H,13-15H2,1H3,(H,28,29)