3-(4-methylphenyl)-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(4-methylphenyl)-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-3-(p-tolyl)chromen-2-one CAS Name: 7-hydroxy-3-(4-methylphenyl)-4-[4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]phenyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(4-methylphenyl)-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]chromen-2-one Traditional Name: 7-hydroxy-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-3-(p-tolyl)coumarin Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)C4=CC=C(C=C4)OCCC5CCCN5C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)C4=CC=C(C=C4)OCCC5CCCN5C

InChI

InChI=1S/C29H29NO4/c1-19-5-7-21(8-6-19)28-27(25-14-11-23(31)18-26(25)34-29(28)32)20-9-12-24(13-10-20)33-17-15-22-4-3-16-30(22)2/h5-14,18,22,31H,3-4,15-17H2,1-2H3