[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3/c1-19(2)26(16-20-9-5-3-6-10-20)23(28)18-30-24(29)14-13-21-15-25-27(17-21)22-11-7-4-8-12-22/h3-12,15,17,19H,13-14,16,18H2,1-2H3