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

Systemtic Name: 3-[3-[(4-butylphenyl)amino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[3-(4-butylanilino)-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 3-[3-(4-butylanilino)-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[3-(4-butylanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 3-[3-(4-butylanilino)-2,5-diketo-pyrrolidino]benzoic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-2-3-5-14-8-10-16(11-9-14)22-18-13-19(24)23(20(18)25)17-7-4-6-15(12-17)21(26)27/h4,6-12,18,22H,2-3,5,13H2,1H3,(H,26,27)