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

Systemtic Name: 2-(3-methylphenoxy)ethyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 2-(3-methylphenoxy)ethyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid 2-(3-methylphenoxy)ethyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H33NO4/c1-17(2)22(24(28)30-15-14-29-21-9-7-8-18(3)16-21)26-23(27)19-10-12-20(13-11-19)25(4,5)6/h7-13,16-17,22H,14-15H2,1-6H3,(H,26,27)/t22-/m0/s1