(3S)-1-[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]-5-keto-pyrrolidine-3-carboxylate Formula: C21H22NO4- MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)N3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)N3C[C@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C21H23NO4/c1-13(2)18-9-4-14(3)10-19(18)26-17-7-5-16(6-8-17)22-12-15(21(24)25)11-20(22)23/h4-10,13,15H,11-12H2,1-3H3,(H,24,25)/p-1/t15-/m0/s1