methyl 3-[[(3S)-1-(cyclohexylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[(3S)-1-(cyclohexylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoyl]benzoate Openeye Name: methyl 3-[[(3S)-1-(cyclohexylmethyl)-5-oxo-pyrrolidin-3-yl]carbamoyl]benzoate CAS Name: 3-[[[(3S)-1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]carbamoyl]benzoate Traditional Name: 3-[[(3S)-1-(cyclohexylmethyl)-5-keto-pyrrolidin-3-yl]carbamoyl]benzoic acid methyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC2CC(=O)N(C2)CC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N[C@H]2CC(=O)N(C2)CC3CCCCC3

InChI

InChI=1S/C20H26N2O4/c1-26-20(25)16-9-5-8-15(10-16)19(24)21-17-11-18(23)22(13-17)12-14-6-3-2-4-7-14/h5,8-10,14,17H,2-4,6-7,11-13H2,1H3,(H,21,24)/t17-/m0/s1