tert-butyl N-ethyl-N-[3-[3-[(3-methylphenyl)carbonylamino]propanoylamino]propyl]carbamate

Systemtic Name: tert-butyl N-ethyl-N-[3-[3-[(3-methylphenyl)carbonylamino]propanoylamino]propyl]carbamate Openeye Name: tert-butyl N-ethyl-N-[3-[3-[(3-methylbenzoyl)amino]propanoylamino]propyl]carbamate CAS Name: N-ethyl-N-[3-[[3-[[(3-methylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-ethyl-N-[3-[3-[(3-methylbenzoyl)amino]propanoylamino]propyl]carbamate Traditional Name: N-ethyl-N-[3-[3-(m-toluoylamino)propanoylamino]propyl]carbamic acid tert-butyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)CCNC(=O)C1=CC(=CC=C1)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CCCNC(=O)CCNC(=O)C1=CC(=CC=C1)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O4/c1-6-24(20(27)28-21(3,4)5)14-8-12-22-18(25)11-13-23-19(26)17-10-7-9-16(2)15-17/h7,9-10,15H,6,8,11-14H2,1-5H3,(H,22,25)(H,23,26)