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

Systemtic Name: 1-[[1-(3-methanoylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-[[1-(3-formyl-4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-[[1-(3-formyl-4-pyridinyl)-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-[[1-(3-formylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-[[1-(3-formyl-4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c26-14-18-13-23-9-5-20(18)24-10-6-16(7-11-24)15-29-21-19-4-2-1-3-17(19)8-12-25(21)22(27)28/h1-5,9,13-14,16,21H,6-8,10-12,15H2,(H,27,28)