[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3/c1-15(2)19-12-8-9-16(3)22(19)23-20(24)14-26-21(25)13-17(4)18-10-6-5-7-11-18/h5-12,15,17H,13-14H2,1-4H3,(H,23,24)/t17-/m0/s1