4-[1-methoxy-3-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]benzoic acid

Systemtic Name: 4-[1-methoxy-3-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]benzoic acid Openeye Name: 4-[1-methoxy-3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-pyrrolidin-1-yl-propoxy]benzoic acid CAS Name: 4-[1-methoxy-3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-(1-pyrrolidinyl)propoxy]benzoic acid IUPAC Name: 4-[1-methoxy-3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-pyrrolidin-1-ylpropoxy]benzoic acid Traditional Name: 4-[2-keto-1-methoxy-3-[2-(o-toluidino)-1,3-benzoxazol-6-yl]-1-pyrrolidino-propoxy]benzoic acid Formula: C29H29N3O6 MolecularWeight: 515.55706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)C(N4CCCC4)(OC)OC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)C(N4CCCC4)(OC)OC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H29N3O6/c1-19-7-3-4-8-23(19)30-28-31-24-14-9-20(17-25(24)37-28)18-26(33)29(36-2,32-15-5-6-16-32)38-22-12-10-21(11-13-22)27(34)35/h3-4,7-14,17H,5-6,15-16,18H2,1-2H3,(H,30,31)(H,34,35)