(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate CAS Name: 2-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate Traditional Name: 2-[4-hydroxy-3,5-bis(pyrrolidinomethyl)phenyl]acetic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C29H34N2O6 MolecularWeight: 506.59006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=CC(=C(C(=C3)CN4CCCC4)O)CN5CCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CC3=CC(=C(C(=C3)CN4CCCC4)O)CN5CCCC5

InChI

InChI=1S/C29H34N2O6/c1-35-24-6-7-25-23(15-28(33)37-26(25)16-24)19-36-27(32)14-20-12-21(17-30-8-2-3-9-30)29(34)22(13-20)18-31-10-4-5-11-31/h6-7,12-13,15-16,34H,2-5,8-11,14,17-19H2,1H3