[(2R)-1-[[2-[(2R)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate

Systemtic Name: [(2R)-1-[[2-[(2R)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-butoxybenzoate Openeye Name: [(1R)-1-methyl-2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [(1R)-2-keto-1-methyl-2-[2-[(1R)-1-methylpropyl]anilino]ethyl] ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C(C)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[C@H](C)CC

InChI

InChI=1S/C24H31NO4/c1-5-7-16-28-20-14-12-19(13-15-20)24(27)29-18(4)23(26)25-22-11-9-8-10-21(22)17(3)6-2/h8-15,17-18H,5-7,16H2,1-4H3,(H,25,26)/t17-,18-/m1/s1