2-(4-chloranylphenoxy)ethyl (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 2-(4-chloranylphenoxy)ethyl (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 2-(4-chlorophenoxy)ethyl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid 2-(4-chlorophenoxy)ethyl ester IUPAC Name: 2-(4-chlorophenoxy)ethyl (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid 2-(4-chlorophenoxy)ethyl ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H26ClNO5/c1-4-27-18-9-5-16(6-10-18)21(25)24-20(15(2)3)22(26)29-14-13-28-19-11-7-17(23)8-12-19/h5-12,15,20H,4,13-14H2,1-3H3,(H,24,25)/t20-/m0/s1