3-[[(3S)-2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[(3S)-2,5-bis(oxidanylidene)-1-phenethyl-pyrrolidin-3-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[(3S)-2,5-dioxo-1-phenethyl-pyrrolidin-3-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[(3S)-2,5-dioxo-1-phenethyl-3-pyrrolidinyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[(3S)-2,5-dioxo-1-phenethylpyrrolidin-3-yl]amino]-4-methylbenzoic acid Traditional Name: 3-[[(3S)-2,5-diketo-1-phenethyl-pyrrolidin-3-yl]amino]-4-methyl-benzoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2CC(=O)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N[C@H]2CC(=O)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4/c1-13-7-8-15(20(25)26)11-16(13)21-17-12-18(23)22(19(17)24)10-9-14-5-3-2-4-6-14/h2-8,11,17,21H,9-10,12H2,1H3,(H,25,26)/t17-/m0/s1