ethyl 1-[(2R)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoyl]isonipecotic acid ethyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@H](C(C)C)C(=O)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C22H32N2O5/c1-5-28-18-9-7-16(8-10-18)20(25)23-19(15(3)4)21(26)24-13-11-17(12-14-24)22(27)29-6-2/h7-10,15,17,19H,5-6,11-14H2,1-4H3,(H,23,25)/t19-/m1/s1