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

Systemtic Name: 3-(4-methylphenyl)-4-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methyl]-3-(p-tolyl)chromen-2-one CAS Name: 7-hydroxy-3-(4-methylphenyl)-4-[[4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(4-methylphenyl)-4-[[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzyl]-3-(p-tolyl)coumarin Formula: C30H31NO4 MolecularWeight: 469.57144

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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)CC4=CC=C(C=C4)OCCC5CCCN5C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)CC4=CC=C(C=C4)OCCC5CCCN5C

InChI

InChI=1S/C30H31NO4/c1-20-5-9-22(10-6-20)29-27(26-14-11-24(32)19-28(26)35-30(29)33)18-21-7-12-25(13-8-21)34-17-15-23-4-3-16-31(23)2/h5-14,19,23,32H,3-4,15-18H2,1-2H3