methyl 4-[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-2-yl-propyl]-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-1-pyrrolidin-2-yl-propyl]-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-2-oxo-1-pyrrolidin-2-yl-propyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[3-[3-methoxy-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-1-(2-pyrrolidinyl)propyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[3-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxo-1-pyrrolidin-2-ylpropyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[2-keto-3-[3-methoxy-4-(o-tolylcarbamoylamino)phenyl]-1-pyrrolidin-2-yl-propyl]-methyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C31H42N4O5 MolecularWeight: 550.68898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)C(C3CCCN3)N(C)C4CCC(CC4)C(=O)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)CC(=O)C(C3CCCN3)N(C)C4CCC(CC4)C(=O)OC)OC

InChI

InChI=1S/C31H42N4O5/c1-20-8-5-6-9-24(20)33-31(38)34-25-16-11-21(19-28(25)39-3)18-27(36)29(26-10-7-17-32-26)35(2)23-14-12-22(13-15-23)30(37)40-4/h5-6,8-9,11,16,19,22-23,26,29,32H,7,10,12-15,17-18H2,1-4H3,(H2,33,34,38)