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

Systemtic Name: 4-[3-(1,3-benzoxazol-6-yl)-1-methoxy-3-[(2-methylphenyl)amino]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(1,3-benzoxazol-6-yl)-1-methoxy-3-(2-methylanilino)-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[3-(1,3-benzoxazol-6-yl)-1-methoxy-3-(2-methylanilino)-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(1,3-benzoxazol-6-yl)-1-methoxy-3-(2-methylanilino)-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(1,3-benzoxazol-6-yl)-2-keto-1-methoxy-3-(o-toluidino)-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C29H35N3O6 MolecularWeight: 521.6047

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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)(OC)OC5CCC(CC5)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O6/c1-19-7-3-4-8-23(19)31-26(21-11-14-24-25(17-21)37-18-30-24)27(33)29(36-2,32-15-5-6-16-32)38-22-12-9-20(10-13-22)28(34)35/h3-4,7-8,11,14,17-18,20,22,26,31H,5-6,9-10,12-13,15-16H2,1-2H3,(H,34,35)