ethanoic acid; ethyl 4-[4-[1-(4-azanylbutyl)indol-3-yl]-5-cyano-2-oxidanylidene-1H-imidazol-3-yl]benzoate

Systemtic Name: ethanoic acid; ethyl 4-[4-[1-(4-azanylbutyl)indol-3-yl]-5-cyano-2-oxidanylidene-1H-imidazol-3-yl]benzoate Openeye Name: acetic acid; ethyl 4-[4-[1-(4-aminobutyl)indol-3-yl]-5-cyano-2-oxo-1H-imidazol-3-yl]benzoate CAS Name: acetic acid; 4-[4-[1-(4-aminobutyl)-3-indolyl]-5-cyano-2-oxo-1H-imidazol-3-yl]benzoic acid ethyl ester IUPAC Name: acetic acid; ethyl 4-[4-[1-(4-aminobutyl)indol-3-yl]-5-cyano-2-oxo-1H-imidazol-3-yl]benzoate Traditional Name: acetic acid; 4-[5-[1-(4-aminobutyl)indol-3-yl]-4-cyano-2-keto-4-imidazolin-1-yl]benzoic acid ethyl ester Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(NC2=O)C#N)C3=CN(C4=CC=CC=C43)CCCCN.CC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(NC2=O)C#N)C3=CN(C4=CC=CC=C43)CCCCN.CC(=O)O

InChI

InChI=1S/C25H25N5O3.C2H4O2/c1-2-33-24(31)17-9-11-18(12-10-17)30-23(21(15-27)28-25(30)32)20-16-29(14-6-5-13-26)22-8-4-3-7-19(20)22;1-2(3)4/h3-4,7-12,16H,2,5-6,13-14,26H2,1H3,(H,28,32);1H3,(H,3,4)