(phenylmethyl) 4-[2-[3-[(5-ethoxy-5-oxidanylidene-pent-1-yn-3-yl)carbamoyl]piperidin-1-yl]-2-oxidanylidene-ethoxy]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-[3-[(5-ethoxy-5-oxidanylidene-pent-1-yn-3-yl)carbamoyl]piperidin-1-yl]-2-oxidanylidene-ethoxy]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-[3-[1-(2-ethoxy-2-oxo-ethyl)prop-2-ynylcarbamoyl]-1-piperidyl]-2-oxo-ethoxy]piperidine-1-carboxylate CAS Name: 4-[2-[3-[[(5-ethoxy-5-oxopent-1-yn-3-yl)amino]-oxomethyl]-1-piperidinyl]-2-oxoethoxy]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-[3-[(5-ethoxy-5-oxopent-1-yn-3-yl)carbamoyl]piperidin-1-yl]-2-oxoethoxy]piperidine-1-carboxylate Traditional Name: 4-[2-[3-[1-(2-ethoxy-2-keto-ethyl)prop-2-ynylcarbamoyl]piperidino]-2-keto-ethoxy]piperidine-1-carboxylic acid benzyl ester Formula: C28H37N3O7 MolecularWeight: 527.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C#C)NC(=O)C1CCCN(C1)C(=O)COC2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C#C)NC(=O)C1CCCN(C1)C(=O)COC2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H37N3O7/c1-3-23(17-26(33)36-4-2)29-27(34)22-11-8-14-31(18-22)25(32)20-37-24-12-15-30(16-13-24)28(35)38-19-21-9-6-5-7-10-21/h1,5-7,9-10,22-24H,4,8,11-20H2,2H3,(H,29,34)