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

Systemtic Name: 3-[[2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]-4-methyl-benzoic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C21H22N2O5/c1-3-10-28-16-8-6-15(7-9-16)23-19(24)12-18(20(23)25)22-17-11-14(21(26)27)5-4-13(17)2/h4-9,11,18,22H,3,10,12H2,1-2H3,(H,26,27)