4-[[(3R)-1-(4-butylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]benzoate

Systemtic Name: 4-[[(3R)-1-(4-butylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]benzoate Openeye Name: 4-[[(3R)-1-(4-butylphenyl)-2,5-dioxo-pyrrolidin-3-yl]amino]benzoate CAS Name: 4-[[(3R)-1-(4-butylphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]benzoate IUPAC Name: 4-[[(3R)-1-(4-butylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoate Traditional Name: 4-[[(3R)-1-(4-butylphenyl)-2,5-diketo-pyrrolidin-3-yl]amino]benzoate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H22N2O4/c1-2-3-4-14-5-11-17(12-6-14)23-19(24)13-18(20(23)25)22-16-9-7-15(8-10-16)21(26)27/h5-12,18,22H,2-4,13H2,1H3,(H,26,27)/p-1/t18-/m1/s1