7-[3-ethoxy-3-oxidanylidene-1-(4-pyridin-4-ylpiperidin-4-yl)propoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 7-[3-ethoxy-3-oxidanylidene-1-(4-pyridin-4-ylpiperidin-4-yl)propoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[3-ethoxy-3-oxo-1-[4-(4-pyridyl)-4-piperidyl]propoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[3-ethoxy-3-oxo-1-(4-pyridin-4-yl-4-piperidinyl)propoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[3-ethoxy-3-oxo-1-(4-pyridin-4-ylpiperidin-4-yl)propoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[3-ethoxy-3-keto-1-[4-(4-pyridyl)-4-piperidyl]propoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5/c1-2-32-23(29)16-22(25(8-12-27-13-9-25)20-5-10-26-11-6-20)33-21-4-3-18-7-14-28(24(30)31)17-19(18)15-21/h3-6,10-11,15,22,27H,2,7-9,12-14,16-17H2,1H3,(H,30,31)