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

Systemtic Name: 7-[(2-chloranylpyrimidin-4-yl)-(4-ethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[(2-chloropyrimidin-4-yl)-(4-ethoxycarbonyl-4-piperidyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[(2-chloro-4-pyrimidinyl)-(4-ethoxycarbonyl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[(2-chloropyrimidin-4-yl)-(4-ethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[(4-carbethoxy-4-piperidyl)-(2-chloropyrimidin-4-yl)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(CCNCC1)C(C2=NC(=NC=C2)Cl)OC3=CC4=C(CCN(C4)C(=O)O)C=C3

Isomeric SMILES

CCOC(=O)C1(CCNCC1)C(C2=NC(=NC=C2)Cl)OC3=CC4=C(CCN(C4)C(=O)O)C=C3

InChI

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