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

Systemtic Name: methyl 4-[[4-(4-azanyl-2-methyl-5-oxidanylidene-3-pentadecyl-pyrazol-1-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(4-amino-2-methyl-5-oxo-3-pentadecyl-pyrazol-1-yl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(4-amino-2-methyl-5-oxo-3-pentadecyl-1-pyrazolyl)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(4-amino-2-methyl-5-oxo-3-pentadecylpyrazol-1-yl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(4-amino-5-keto-2-methyl-3-pentadecyl-3-pyrazolin-1-yl)anilino]-4-keto-butyric acid methyl ester Formula: C30H48N4O4 MolecularWeight: 528.72652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=O)N(N1C)C2=CC=C(C=C2)NC(=O)CCC(=O)OC)N

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=O)N(N1C)C2=CC=C(C=C2)NC(=O)CCC(=O)OC)N

InChI

InChI=1S/C30H48N4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-29(31)30(37)34(33(26)2)25-20-18-24(19-21-25)32-27(35)22-23-28(36)38-3/h18-21H,4-17,22-23,31H2,1-3H3,(H,32,35)