1-(2,6-dimethylpyridin-4-yl)-1-[(4-ethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydroisoquinoline-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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