ethyl 3-[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazol-4-yl]carbonyl-methyl-amino]-2-methoxy-propanoate

Systemtic Name: ethyl 3-[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxidanylidene-pyrazol-4-yl]carbonyl-methyl-amino]-2-methoxy-propanoate Openeye Name: ethyl 3-[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-pyrazole-4-carbonyl]-methyl-amino]-2-methoxy-propanoate CAS Name: 3-[[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxo-4-pyrazolyl]-oxomethyl]-methylamino]-2-methoxypropanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-2-methyl-5-oxopyrazole-4-carbonyl]-methylamino]-2-methoxypropanoate Traditional Name: 3-[[3-(4-tert-butylphenyl)-1-(4-cyanophenyl)-5-keto-2-methyl-3-pyrazoline-4-carbonyl]-methyl-amino]-2-methoxy-propionic acid ethyl ester Formula: C29H34N4O5 MolecularWeight: 518.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN(C)C(=O)C1=C(N(N(C1=O)C2=CC=C(C=C2)C#N)C)C3=CC=C(C=C3)C(C)(C)C)OC

Isomeric SMILES

CCOC(=O)C(CN(C)C(=O)C1=C(N(N(C1=O)C2=CC=C(C=C2)C#N)C)C3=CC=C(C=C3)C(C)(C)C)OC

InChI

InChI=1S/C29H34N4O5/c1-8-38-28(36)23(37-7)18-31(5)26(34)24-25(20-11-13-21(14-12-20)29(2,3)4)32(6)33(27(24)35)22-15-9-19(17-30)10-16-22/h9-16,23H,8,18H2,1-7H3