tert-butyl 4-[3-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]carbonylphenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]carbonylphenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidine-1-carbonyl]phenyl]piperidine-1-carboxylate CAS Name: 4-[3-[[3-[(2-ethoxycarbonylbut-3-ynylamino)-oxomethyl]-1-piperidinyl]-oxomethyl]phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidine-1-carbonyl]phenyl]piperidine-1-carboxylate Traditional Name: 4-[3-[3-(2-carbethoxybut-3-ynylcarbamoyl)piperidine-1-carbonyl]phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H41N3O6 MolecularWeight: 539.66304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)C3CCN(CC3)C(=O)OC(C)(C)C)C#C

Isomeric SMILES

CCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)C3CCN(CC3)C(=O)OC(C)(C)C)C#C

InChI

InChI=1S/C30H41N3O6/c1-6-21(28(36)38-7-2)19-31-26(34)25-12-9-15-33(20-25)27(35)24-11-8-10-23(18-24)22-13-16-32(17-14-22)29(37)39-30(3,4)5/h1,8,10-11,18,21-22,25H,7,9,12-17,19-20H2,2-5H3,(H,31,34)