7-[[1-(3-methanoylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 7-[[1-(3-methanoylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[[1-(3-formyl-4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[[1-(3-formyl-4-pyridinyl)-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[[1-(3-formylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[[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(CCC1COC2=CC3=C(CCN(C3)C(=O)O)C=C2)C4=C(C=NC=C4)C=O

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=O)O)C=C2)C4=C(C=NC=C4)C=O

InChI

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