4-(4-methoxyphenyl)-7-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one

Systemtic Name: 4-(4-methoxyphenyl)-7-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Openeye Name: 4-(4-methoxyphenyl)-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one CAS Name: 4-(4-methoxyphenyl)-7-[2-oxo-2-[4-(1-pyrrolidinyl)phenyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-(4-methoxyphenyl)-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-(4-pyrrolidinophenyl)ethoxy]-4-(4-methoxyphenyl)coumarin Formula: C28H25NO5 MolecularWeight: 455.5018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)C4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)C4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C28H25NO5/c1-32-22-10-6-19(7-11-22)25-17-28(31)34-27-16-23(12-13-24(25)27)33-18-26(30)20-4-8-21(9-5-20)29-14-2-3-15-29/h4-13,16-17H,2-3,14-15,18H2,1H3