ethyl 1-[2-[3-[3-methylbutanoyl-(phenylmethyl)amino]phenyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[3-[3-methylbutanoyl-(phenylmethyl)amino]phenyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-[benzyl(3-methylbutanoyl)amino]phenyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[3-[(3-methyl-1-oxobutyl)-(phenylmethyl)amino]phenyl]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-[benzyl(3-methylbutanoyl)amino]phenyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-[benzyl(isovaleryl)amino]phenyl]acetyl]isonipecotic acid ethyl ester Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CC2=CC(=CC=C2)N(CC3=CC=CC=C3)C(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CC2=CC(=CC=C2)N(CC3=CC=CC=C3)C(=O)CC(C)C

InChI

InChI=1S/C28H36N2O4/c1-4-34-28(33)24-13-15-29(16-14-24)26(31)19-23-11-8-12-25(18-23)30(27(32)17-21(2)3)20-22-9-6-5-7-10-22/h5-12,18,21,24H,4,13-17,19-20H2,1-3H3