3-[3-(3-chloranyl-4-methoxy-phenyl)pyrrolidin-3-yl]-3-oxidanyl-1-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 3-[3-(3-chloranyl-4-methoxy-phenyl)pyrrolidin-3-yl]-3-oxidanyl-1-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 3-[3-(3-chloro-4-methoxy-phenyl)pyrrolidin-3-yl]-3-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 3-[3-(3-chloro-4-methoxyphenyl)-3-pyrrolidinyl]-3-hydroxy-1-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 3-[3-(3-chloro-4-methoxyphenyl)pyrrolidin-3-yl]-3-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 3-[3-(3-chloro-4-methoxy-phenyl)pyrrolidin-3-yl]-3-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C23H28ClNO6 MolecularWeight: 449.92452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCNC2)C(CC(=O)C3=CC(=C(C(=C3)OC)OC)OC)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCNC2)C(CC(=O)C3=CC(=C(C(=C3)OC)OC)OC)O)Cl

InChI

InChI=1S/C23H28ClNO6/c1-28-18-6-5-15(11-16(18)24)23(7-8-25-13-23)21(27)12-17(26)14-9-19(29-2)22(31-4)20(10-14)30-3/h5-6,9-11,21,25,27H,7-8,12-13H2,1-4H3