methyl 3-[[3-(butanoylamino)-4-methanoyl-phenyl]-(2-cyanoethyl)amino]propanoate

Systemtic Name: methyl 3-[[3-(butanoylamino)-4-methanoyl-phenyl]-(2-cyanoethyl)amino]propanoate Openeye Name: methyl 3-[3-(butanoylamino)-N-(2-cyanoethyl)-4-formyl-anilino]propanoate CAS Name: 3-[N-(2-cyanoethyl)-4-formyl-3-(1-oxobutylamino)anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(butanoylamino)-N-(2-cyanoethyl)-4-formylanilino]propanoate Traditional Name: 3-[3-butyramido-N-(2-cyanoethyl)-4-formyl-anilino]propionic acid methyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1)N(CCC#N)CCC(=O)OC)C=O

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)N(CCC#N)CCC(=O)OC)C=O

InChI

InChI=1S/C18H23N3O4/c1-3-5-17(23)20-16-12-15(7-6-14(16)13-22)21(10-4-9-19)11-8-18(24)25-2/h6-7,12-13H,3-5,8,10-11H2,1-2H3,(H,20,23)