[(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate

Systemtic Name: [(2S)-1-[[2-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate Openeye Name: [(1S)-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [(1S)-2-keto-1-methyl-2-[2-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)O

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)O

InChI

InChI=1S/C20H23NO4/c1-4-13(2)17-10-5-6-11-18(17)21-19(23)14(3)25-20(24)15-8-7-9-16(22)12-15/h5-14,22H,4H2,1-3H3,(H,21,23)/t13-,14-/m0/s1