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

Systemtic Name: 4-[3-(1,3-benzoxazol-6-yl)-3-[(2-methylphenyl)amino]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(1,3-benzoxazol-6-yl)-3-(2-methylanilino)-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[3-(1,3-benzoxazol-6-yl)-3-(2-methylanilino)-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(1,3-benzoxazol-6-yl)-3-(2-methylanilino)-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(1,3-benzoxazol-6-yl)-2-keto-3-(o-toluidino)-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(C2=CC3=C(C=C2)N=CO3)C(=O)C(N4CCCC4)OC5CCC(CC5)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(C2=CC3=C(C=C2)N=CO3)C(=O)C(N4CCCC4)OC5CCC(CC5)C(=O)O

InChI

InChI=1S/C28H33N3O5/c1-18-6-2-3-7-22(18)30-25(20-10-13-23-24(16-20)35-17-29-23)26(32)27(31-14-4-5-15-31)36-21-11-8-19(9-12-21)28(33)34/h2-3,6-7,10,13,16-17,19,21,25,27,30H,4-5,8-9,11-12,14-15H2,1H3,(H,33,34)