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

Systemtic Name: 6-chloranyl-4-methyl-7-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-6-chloro-4-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one CAS Name: 6-chloro-4-methyl-7-[2-oxo-2-[4-(1-pyrrolidinyl)phenyl]ethoxy]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-6-chloro-4-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Traditional Name: 3-benzyl-6-chloro-7-[2-keto-2-(4-pyrrolidinophenyl)ethoxy]-4-methyl-coumarin Formula: C29H26ClNO4 MolecularWeight: 487.97404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC=C(C=C3)N4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC=C(C=C3)N4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H26ClNO4/c1-19-23-16-25(30)28(17-27(23)35-29(33)24(19)15-20-7-3-2-4-8-20)34-18-26(32)21-9-11-22(12-10-21)31-13-5-6-14-31/h2-4,7-12,16-17H,5-6,13-15,18H2,1H3