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

Systemtic Name: methyl 4-[3-(1,3-benzoxazol-6-yl)-3-[(2-methylphenyl)amino]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-(1,3-benzoxazol-6-yl)-3-(2-methylanilino)-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylate CAS Name: 4-[3-(1,3-benzoxazol-6-yl)-3-(2-methylanilino)-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-benzoxazol-6-yl)-3-(2-methylanilino)-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate Traditional Name: 4-[3-(1,3-benzoxazol-6-yl)-2-keto-3-(o-toluidino)-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid methyl ester Formula: C29H35N3O5 MolecularWeight: 505.6053

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O5/c1-19-7-3-4-8-23(19)31-26(21-11-14-24-25(17-21)36-18-30-24)27(33)28(32-15-5-6-16-32)37-22-12-9-20(10-13-22)29(34)35-2/h3-4,7-8,11,14,17-18,20,22,26,28,31H,5-6,9-10,12-13,15-16H2,1-2H3