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

Systemtic Name: 7-[[4-ethoxycarbonyl-1-(2-methylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[[4-ethoxycarbonyl-1-(2-methyl-4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[[4-ethoxycarbonyl-1-(2-methyl-4-pyridinyl)-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[[4-ethoxycarbonyl-1-(2-methylpyridin-4-yl)piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[[4-carbethoxy-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)C1(CCN(CC1)C2=CC(=NC=C2)C)COC3=CC4=C(CCN(C4)C(=O)O)C=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC(=NC=C2)C)COC3=CC4=C(CCN(C4)C(=O)O)C=C3

InChI

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