methyl (2S)-2-[2-cyanoethanoyl-[(3-methoxyphenyl)methyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[2-cyanoethanoyl-[(3-methoxyphenyl)methyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[(2-cyanoacetyl)-[(3-methoxyphenyl)methyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[(2-cyano-1-oxoethyl)-[(3-methoxyphenyl)methyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-cyanoacetyl)-[(3-methoxyphenyl)methyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[(2-cyanoacetyl)-m-anisyl-amino]-4-methyl-valeric acid methyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N(CC1=CC(=CC=C1)OC)C(=O)CC#N

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)N(CC1=CC(=CC=C1)OC)C(=O)CC#N

InChI

InChI=1S/C18H24N2O4/c1-13(2)10-16(18(22)24-4)20(17(21)8-9-19)12-14-6-5-7-15(11-14)23-3/h5-7,11,13,16H,8,10,12H2,1-4H3/t16-/m0/s1