2-[methoxycarbonyl-[2-[1-(phenylmethyl)pyrazol-3-yl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[methoxycarbonyl-[2-[1-(phenylmethyl)pyrazol-3-yl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[2-(1-benzylpyrazol-3-yl)ethyl-methoxycarbonyl-amino]-4-methyl-pentanoic acid CAS Name: 2-[methoxycarbonyl-[2-[1-(phenylmethyl)-3-pyrazolyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[2-(1-benzylpyrazol-3-yl)ethyl-methoxycarbonylamino]-4-methylpentanoic acid Traditional Name: 2-[2-(1-benzylpyrazol-3-yl)ethyl-carbomethoxy-amino]-4-methyl-valeric acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=NN(C=C1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=NN(C=C1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H27N3O4/c1-15(2)13-18(19(24)25)23(20(26)27-3)12-10-17-9-11-22(21-17)14-16-7-5-4-6-8-16/h4-9,11,15,18H,10,12-14H2,1-3H3,(H,24,25)