[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl benzoate

Systemtic Name: [1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl benzoate Openeye Name: [1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl benzoate CAS Name: benzoic acid [1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl ester IUPAC Name: [1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl benzoate Traditional Name: benzoic acid [1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl ester Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1COC(=O)C2=CC=CC=C2)CC3=CNC4=C3C=CC=N4

Isomeric SMILES

C1CN(CC=C1COC(=O)C2=CC=CC=C2)CC3=CNC4=C3C=CC=N4

InChI

InChI=1S/C21H21N3O2/c25-21(17-5-2-1-3-6-17)26-15-16-8-11-24(12-9-16)14-18-13-23-20-19(18)7-4-10-22-20/h1-8,10,13H,9,11-12,14-15H2,(H,22,23)