3-(4-methylphenyl)-7-oxidanyl-4-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one

Systemtic Name: 3-(4-methylphenyl)-7-oxidanyl-4-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 7-hydroxy-4-[[3-[2-(1-piperidyl)ethoxy]phenyl]methyl]-3-(p-tolyl)chromen-2-one CAS Name: 7-hydroxy-3-(4-methylphenyl)-4-[[3-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(4-methylphenyl)-4-[[3-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[3-(2-piperidinoethoxy)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(=CC=C4)OCCN5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)CC4=CC(=CC=C4)OCCN5CCCCC5

InChI

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