6-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 6-[(1-pyridin-4-yl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-[[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(CCC1COC2=CC3=C(CN(CC3)C(=O)O)C=C2)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CN(CC3)C(=O)O)C=C2)C4=CC=NC=C4

InChI

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