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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(4-pyridylmethyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(4-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=NC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(CN2CC3=CC=NC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

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