ethyl 3-[[2-[2-(3-methylbutanoylamino)ethanoyl]pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-[2-(3-methylbutanoylamino)ethanoyl]pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-[2-(3-methylbutanoylamino)acetyl]pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[2-[(3-methyl-1-oxobutyl)amino]-1-oxoethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(3-methylbutanoylamino)acetyl]pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-[2-(isovalerylamino)acetyl]pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CNC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)CNC(=O)CC(C)C

InChI

InChI=1S/C20H28N4O5/c1-4-29-19(27)15-7-5-8-16(12-15)22-20(28)24-10-6-9-23(24)18(26)13-21-17(25)11-14(2)3/h5,7-8,12,14H,4,6,9-11,13H2,1-3H3,(H,21,25)(H,22,28)