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

Systemtic Name: 1-[2-[4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-[2-(1-tert-butoxycarbonyl-4-ethoxycarbonyl-4-piperidyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-[2-[4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-[2-[4-ethoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-[2-(1-tert-butoxycarbonyl-4-carbethoxy-4-piperidyl)ethoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C25H36N2O7 MolecularWeight: 476.56254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CCOC2C3=CC=CC=C3CCN2C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CCOC2C3=CC=CC=C3CCN2C(=O)O

InChI

InChI=1S/C25H36N2O7/c1-5-32-21(28)25(11-15-26(16-12-25)23(31)34-24(2,3)4)13-17-33-20-19-9-7-6-8-18(19)10-14-27(20)22(29)30/h6-9,20H,5,10-17H2,1-4H3,(H,29,30)