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

Systemtic Name: 7-[[1-(2-chloranylpyrimidin-4-yl)-4-ethoxycarbonyl-piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[[1-(2-chloropyrimidin-4-yl)-4-ethoxycarbonyl-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[[1-(2-chloro-4-pyrimidinyl)-4-ethoxycarbonyl-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[[1-(2-chloropyrimidin-4-yl)-4-ethoxycarbonylpiperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[[4-carbethoxy-1-(2-chloropyrimidin-4-yl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C23H27ClN4O5 MolecularWeight: 474.93728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O5/c1-2-32-20(29)23(7-11-27(12-8-23)19-5-9-25-21(24)26-19)15-33-18-4-3-16-6-10-28(22(30)31)14-17(16)13-18/h3-5,9,13H,2,6-8,10-12,14-15H2,1H3,(H,30,31)