4-methoxy-2,3-dimethyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid

Systemtic Name: 4-methoxy-2,3-dimethyl-1-(phenylmethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid Openeye Name: 1-benzyl-4-methoxy-2,3-dimethyl-pyrrolo[2,3-b]pyridine-5-carboxylic acid CAS Name: 4-methoxy-2,3-dimethyl-1-(phenylmethyl)-5-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-benzyl-4-methoxy-2,3-dimethylpyrrolo[2,3-b]pyridine-5-carboxylic acid Traditional Name: 1-benzyl-4-methoxy-2,3-dimethyl-pyrrolo[2,3-b]pyridine-5-carboxylic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=NC=C(C(=C12)OC)C(=O)O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C2=NC=C(C(=C12)OC)C(=O)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N2O3/c1-11-12(2)20(10-13-7-5-4-6-8-13)17-15(11)16(23-3)14(9-19-17)18(21)22/h4-9H,10H2,1-3H3,(H,21,22)