2-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl-methyl-amino]-5-(propanoylamino)benzoic acid

Systemtic Name: 2-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl-methyl-amino]-5-(propanoylamino)benzoic acid Openeye Name: 2-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl-methyl-amino]-5-(propanoylamino)benzoic acid CAS Name: 2-[2-(1-ethyl-3,5-dimethyl-4-pyrazolyl)ethyl-methylamino]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]-5-(propanoylamino)benzoic acid Traditional Name: 2-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl-methyl-amino]-5-propionamido-benzoic acid Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N(C)CCC2=C(N(N=C2C)CC)C)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N(C)CCC2=C(N(N=C2C)CC)C)C(=O)O

InChI

InChI=1S/C20H28N4O3/c1-6-19(25)21-15-8-9-18(17(12-15)20(26)27)23(5)11-10-16-13(3)22-24(7-2)14(16)4/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,25)(H,26,27)