1-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 1-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-[(1-pyridin-4-yl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2C3=CC=CC=C3CCN2C(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1COC2C3=CC=CC=C3CCN2C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C21H25N3O3/c25-21(26)24-14-9-17-3-1-2-4-19(17)20(24)27-15-16-7-12-23(13-8-16)18-5-10-22-11-6-18/h1-6,10-11,16,20H,7-9,12-15H2,(H,25,26)