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

Systemtic Name: 4-ethoxycarbonyl-1-[[1-(2-methylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 4-ethoxycarbonyl-1-[[1-(2-methyl-4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 4-ethoxycarbonyl-1-[[1-(2-methyl-4-pyridinyl)-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 4-ethoxycarbonyl-1-[[1-(2-methylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 4-carbethoxy-1-[[1-(2-methyl-4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C(C2=CC=CC=C12)OCC3CCN(CC3)C4=CC(=NC=C4)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1CN(C(C2=CC=CC=C12)OCC3CCN(CC3)C4=CC(=NC=C4)C)C(=O)O

InChI

InChI=1S/C25H31N3O5/c1-3-32-24(29)22-15-28(25(30)31)23(21-7-5-4-6-20(21)22)33-16-18-9-12-27(13-10-18)19-8-11-26-17(2)14-19/h4-8,11,14,18,22-23H,3,9-10,12-13,15-16H2,1-2H3,(H,30,31)