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

Systemtic Name: (phenylmethyl) 7-[[1-(2-chloranylpyrimidin-4-yl)-4-ethoxycarbonyl-piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 7-[[1-(2-chloropyrimidin-4-yl)-4-ethoxycarbonyl-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[[1-(2-chloro-4-pyrimidinyl)-4-ethoxycarbonyl-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[[1-(2-chloropyrimidin-4-yl)-4-ethoxycarbonylpiperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[[4-carbethoxy-1-(2-chloropyrimidin-4-yl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C30H33ClN4O5 MolecularWeight: 565.05982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=NC(=NC=C2)Cl)COC3=CC4=C(CCN(C4)C(=O)OCC5=CC=CC=C5)C=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=NC(=NC=C2)Cl)COC3=CC4=C(CCN(C4)C(=O)OCC5=CC=CC=C5)C=C3

InChI

InChI=1S/C30H33ClN4O5/c1-2-38-27(36)30(12-16-34(17-13-30)26-10-14-32-28(31)33-26)21-40-25-9-8-23-11-15-35(19-24(23)18-25)29(37)39-20-22-6-4-3-5-7-22/h3-10,14,18H,2,11-13,15-17,19-21H2,1H3