7-[(2,6-dimethylpyridin-4-yl)-(4-ethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 7-[(2,6-dimethylpyridin-4-yl)-(4-ethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[(2,6-dimethyl-4-pyridyl)-(4-ethoxycarbonyl-4-piperidyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[(2,6-dimethyl-4-pyridinyl)-(4-ethoxycarbonyl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[(2,6-dimethylpyridin-4-yl)-(4-ethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[(4-carbethoxy-4-piperidyl)-(2,6-dimethyl-4-pyridyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5/c1-4-33-24(30)26(8-10-27-11-9-26)23(20-13-17(2)28-18(3)14-20)34-22-6-5-19-7-12-29(25(31)32)16-21(19)15-22/h5-6,13-15,23,27H,4,7-12,16H2,1-3H3,(H,31,32)