(2R)-3-methyl-2-[[(5S)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]azaniumyl]butanoate

Systemtic Name: (2R)-3-methyl-2-[[(5S)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]azaniumyl]butanoate Openeye Name: (2R)-3-methyl-2-[[(5S)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]ammonio]butanoate CAS Name: (2R)-3-methyl-2-[[(5S)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]ammonio]butanoate IUPAC Name: (2R)-3-methyl-2-[[(5S)-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]azaniumyl]butanoate Traditional Name: (2R)-3-methyl-2-[[(3S)-5-(4-phenoxyphenyl)-2-pyrazolin-3-yl]ammonio]butyrate Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]C1CC(=NN1)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])[NH2+][C@@H]1CC(=NN1)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3/c1-13(2)19(20(24)25)21-18-12-17(22-23-18)14-8-10-16(11-9-14)26-15-6-4-3-5-7-15/h3-11,13,18-19,21,23H,12H2,1-2H3,(H,24,25)/t18-,19+/m0/s1