4-ethoxycarbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 4-ethoxycarbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 4-ethoxycarbonyl-1-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 4-ethoxycarbonyl-1-[(1-pyridin-4-yl-4-piperidinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 4-ethoxycarbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 4-carbethoxy-1-[[1-(4-pyridyl)-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C(C2=CC=CC=C12)OCC3CCN(CC3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

CCOC(=O)C1CN(C(C2=CC=CC=C12)OCC3CCN(CC3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C24H29N3O5/c1-2-31-23(28)21-15-27(24(29)30)22(20-6-4-3-5-19(20)21)32-16-17-9-13-26(14-10-17)18-7-11-25-12-8-18/h3-8,11-12,17,21-22H,2,9-10,13-16H2,1H3,(H,29,30)