4-methyl-7-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4-methyl-7-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-oxo-2-[4-(1-pyrrolidinyl)phenyl]ethoxy]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Traditional Name: 3-benzyl-7-[2-keto-2-(4-pyrrolidinophenyl)ethoxy]-4-methyl-coumarin Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)N4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)N4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H27NO4/c1-20-25-14-13-24(18-28(25)34-29(32)26(20)17-21-7-3-2-4-8-21)33-19-27(31)22-9-11-23(12-10-22)30-15-5-6-16-30/h2-4,7-14,18H,5-6,15-17,19H2,1H3