tert-butyl 6-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[[3-[(2-ethoxycarbonylbut-3-ynylamino)-oxomethyl]-1-piperidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[3-(2-carbethoxybut-3-ynylcarbamoyl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H37N3O6 MolecularWeight: 511.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)C2=CC3=C(CN(CC3)C(=O)OC(C)(C)C)C=C2)C#C

Isomeric SMILES

CCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)C2=CC3=C(CN(CC3)C(=O)OC(C)(C)C)C=C2)C#C

InChI

InChI=1S/C28H37N3O6/c1-6-19(26(34)36-7-2)16-29-24(32)23-9-8-13-30(18-23)25(33)21-10-11-22-17-31(14-12-20(22)15-21)27(35)37-28(3,4)5/h1,10-11,15,19,23H,7-9,12-14,16-18H2,2-5H3,(H,29,32)