cyclohexyl-[(2R)-2-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]carbonylpyrrolidin-1-yl]methanone

Systemtic Name: cyclohexyl-[(2R)-2-[4-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperazin-1-yl]carbonylpyrrolidin-1-yl]methanone Openeye Name: [(2R)-2-[4-[(3-benzyloxy-4-methoxy-phenyl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]-cyclohexyl-methanone CAS Name: cyclohexyl-[(2R)-2-[[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-1-pyrrolidinyl]methanone IUPAC Name: cyclohexyl-[(2R)-2-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]methanone Traditional Name: [(2R)-2-[4-(3-benzoxy-4-methoxy-benzyl)piperazine-1-carbonyl]pyrrolidino]-cyclohexyl-methanone Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3CCCN3C(=O)C4CCCCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)[C@H]3CCCN3C(=O)C4CCCCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H41N3O4/c1-37-28-15-14-25(21-29(28)38-23-24-9-4-2-5-10-24)22-32-17-19-33(20-18-32)31(36)27-13-8-16-34(27)30(35)26-11-6-3-7-12-26/h2,4-5,9-10,14-15,21,26-27H,3,6-8,11-13,16-20,22-23H2,1H3/t27-/m1/s1