2-[3-(1,3-benzoxazol-6-yl)-2-oxidanylidene-1-(2-phenylazanylpyrrolidin-1-yl)propoxy]benzoic acid

Systemtic Name: 2-[3-(1,3-benzoxazol-6-yl)-2-oxidanylidene-1-(2-phenylazanylpyrrolidin-1-yl)propoxy]benzoic acid Openeye Name: 2-[1-(2-anilinopyrrolidin-1-yl)-3-(1,3-benzoxazol-6-yl)-2-oxo-propoxy]benzoic acid CAS Name: 2-[1-(2-anilino-1-pyrrolidinyl)-3-(1,3-benzoxazol-6-yl)-2-oxopropoxy]benzoic acid IUPAC Name: 2-[1-(2-anilinopyrrolidin-1-yl)-3-(1,3-benzoxazol-6-yl)-2-oxopropoxy]benzoic acid Traditional Name: 2-[1-(2-anilinopyrrolidino)-3-(1,3-benzoxazol-6-yl)-2-keto-propoxy]benzoic acid Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C(=O)CC2=CC3=C(C=C2)N=CO3)OC4=CC=CC=C4C(=O)O)NC5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)C(C(=O)CC2=CC3=C(C=C2)N=CO3)OC4=CC=CC=C4C(=O)O)NC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O5/c31-22(15-18-12-13-21-24(16-18)34-17-28-21)26(35-23-10-5-4-9-20(23)27(32)33)30-14-6-11-25(30)29-19-7-2-1-3-8-19/h1-5,7-10,12-13,16-17,25-26,29H,6,11,14-15H2,(H,32,33)