3-[(3S)-1-(3,4-dimethoxyphenyl)carbonylpiperidin-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3S)-1-(3,4-dimethoxyphenyl)carbonylpiperidin-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3S)-1-(3,4-dimethoxybenzoyl)-3-piperidyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3S)-1-[(3,4-dimethoxyphenyl)-oxomethyl]-3-piperidinyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3S)-1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 1-pyrrolidino-3-[(3S)-1-veratroyl-3-piperidyl]propan-1-one Formula: C21H30N2O4 MolecularWeight: 374.4739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCC(C2)CCC(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC[C@H](C2)CCC(=O)N3CCCC3)OC

InChI

InChI=1S/C21H30N2O4/c1-26-18-9-8-17(14-19(18)27-2)21(25)23-13-5-6-16(15-23)7-10-20(24)22-11-3-4-12-22/h8-9,14,16H,3-7,10-13,15H2,1-2H3/t16-/m0/s1