1-(2-chloranylpyrimidin-4-yl)-1-[(4-ethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydroisoquinoline-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCNCC1)COC2(C3=CC=CC=C3CCN2C(=O)O)C4=NC(=NC=C4)Cl

Isomeric SMILES

CCOC(=O)C1(CCNCC1)COC2(C3=CC=CC=C3CCN2C(=O)O)C4=NC(=NC=C4)Cl

InChI

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