methyl 2-azanyl-4-cyano-2-[[1-(2-cyanoethyl)indol-3-yl]methyl]butanoate

Systemtic Name: methyl 2-azanyl-4-cyano-2-[[1-(2-cyanoethyl)indol-3-yl]methyl]butanoate Openeye Name: methyl 2-amino-4-cyano-2-[[1-(2-cyanoethyl)indol-3-yl]methyl]butanoate CAS Name: 2-amino-4-cyano-2-[[1-(2-cyanoethyl)-3-indolyl]methyl]butanoic acid methyl ester IUPAC Name: methyl 2-amino-4-cyano-2-[[1-(2-cyanoethyl)indol-3-yl]methyl]butanoate Traditional Name: 2-amino-4-cyano-2-[[1-(2-cyanoethyl)indol-3-yl]methyl]butyric acid methyl ester Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC#N)(CC1=CN(C2=CC=CC=C21)CCC#N)N

Isomeric SMILES

COC(=O)C(CCC#N)(CC1=CN(C2=CC=CC=C21)CCC#N)N

InChI

InChI=1S/C18H20N4O2/c1-24-17(23)18(21,8-4-9-19)12-14-13-22(11-5-10-20)16-7-3-2-6-15(14)16/h2-3,6-7,13H,4-5,8,11-12,21H2,1H3