7-[2-[4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 7-[2-[4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[2-(1-tert-butoxycarbonyl-4-cyano-4-piperidyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[2-[4-cyano-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[2-[4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[2-(1-tert-butoxycarbonyl-4-cyano-4-piperidyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CCOC2=CC3=C(CCN(C3)C(=O)O)C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CCOC2=CC3=C(CCN(C3)C(=O)O)C=C2)C#N

InChI

InChI=1S/C23H31N3O5/c1-22(2,3)31-21(29)25-11-7-23(16-24,8-12-25)9-13-30-19-5-4-17-6-10-26(20(27)28)15-18(17)14-19/h4-5,14H,6-13,15H2,1-3H3,(H,27,28)