ethyl 4-[2-[(4-ethylphenyl)carbonylamino]-3-methyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-ethylphenyl)carbonylamino]-3-methyl-butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-ethylbenzoyl)amino]-3-methyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(4-ethylphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-ethylbenzoyl)amino]-3-methylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-ethylbenzoyl)amino]-3-methyl-butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C21H31N3O4/c1-5-16-7-9-17(10-8-16)19(25)22-18(15(3)4)20(26)23-11-13-24(14-12-23)21(27)28-6-2/h7-10,15,18H,5-6,11-14H2,1-4H3,(H,22,25)