methyl 4-[[4-(3-heptadecyl-2-methyl-5-oxidanylidene-pyrazol-1-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-(3-heptadecyl-2-methyl-5-oxidanylidene-pyrazol-1-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(3-heptadecyl-2-methyl-5-oxo-pyrazol-1-yl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(3-heptadecyl-2-methyl-5-oxo-1-pyrazolyl)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(3-heptadecyl-2-methyl-5-oxopyrazol-1-yl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(3-heptadecyl-5-keto-2-methyl-3-pyrazolin-1-yl)anilino]-4-keto-butyric acid methyl ester Formula: C32H51N3O4 MolecularWeight: 541.76504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)NC(=O)CCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC(=O)N(N1C)C2=CC=C(C=C2)NC(=O)CCC(=O)OC

InChI

InChI=1S/C32H51N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-26-31(37)35(34(29)2)28-22-20-27(21-23-28)33-30(36)24-25-32(38)39-3/h20-23,26H,4-19,24-25H2,1-3H3,(H,33,36)