methyl (2S)-2-[(4-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(4-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-butylbenzoyl)amino]-3-methyl-butyric acid methyl ester Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C17H25NO3/c1-5-6-7-13-8-10-14(11-9-13)16(19)18-15(12(2)3)17(20)21-4/h8-12,15H,5-7H2,1-4H3,(H,18,19)/t15-/m0/s1