1-(phenylmethyl)-1-pyrrolidin-3-yl-xanthene-9-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-1-pyrrolidin-3-yl-xanthene-9-carboxylic acid Openeye Name: 1-benzyl-1-pyrrolidin-3-yl-xanthene-9-carboxylic acid CAS Name: 1-(phenylmethyl)-1-(3-pyrrolidinyl)-9-xanthenecarboxylic acid IUPAC Name: 1-benzyl-1-pyrrolidin-3-ylxanthene-9-carboxylic acid Traditional Name: 1-benzyl-1-pyrrolidin-3-yl-xanthene-9-carboxylic acid Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C2(C=CC=C3C2=C(C4=CC=CC=C4O3)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CNCC1C2(C=CC=C3C2=C(C4=CC=CC=C4O3)C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C25H23NO3/c27-24(28)22-19-9-4-5-10-20(19)29-21-11-6-13-25(23(21)22,18-12-14-26-16-18)15-17-7-2-1-3-8-17/h1-11,13,18,26H,12,14-16H2,(H,27,28)