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

Systemtic Name: methyl (2S)-2-[3,3-dimethylbutanoyl-[(4-methoxyphenyl)methyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[3,3-dimethylbutanoyl-[(4-methoxyphenyl)methyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[(3,3-dimethyl-1-oxobutyl)-[(4-methoxyphenyl)methyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3,3-dimethylbutanoyl-[(4-methoxyphenyl)methyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[3,3-dimethylbutanoyl(p-anisyl)amino]-4-methyl-valeric acid methyl ester Formula: C21H33NO4 MolecularWeight: 363.49102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO4/c1-15(2)12-18(20(24)26-7)22(19(23)13-21(3,4)5)14-16-8-10-17(25-6)11-9-16/h8-11,15,18H,12-14H2,1-7H3/t18-/m0/s1