methyl 3-[[(2S)-2-(4-chlorophenyl)-3-methyl-butanoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2S)-2-(4-chlorophenyl)-3-methyl-butanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2S)-2-(4-chlorophenyl)-3-methyl-butanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S)-2-(4-chlorophenyl)-3-methyl-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2S)-2-(4-chlorophenyl)-3-methyl-butanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C2=CC=C(C=C2)Cl)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3/c1-12(2)18(14-7-9-16(21)10-8-14)19(23)22-17-11-15(20(24)25-4)6-5-13(17)3/h5-12,18H,1-4H3,(H,22,23)/t18-/m0/s1