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

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-7-oxidanyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-7-hydroxy-4-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]chromen-2-one CAS Name: 3-(3-chloro-4-methylphenyl)-7-hydroxy-4-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(3-chloro-4-methylphenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-7-hydroxy-4-[4-(2-piperidinoethoxy)benzyl]coumarin Formula: C30H30ClNO4 MolecularWeight: 504.0165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30ClNO4/c1-20-5-8-22(18-27(20)31)29-26(25-12-9-23(33)19-28(25)36-30(29)34)17-21-6-10-24(11-7-21)35-16-15-32-13-3-2-4-14-32/h5-12,18-19,33H,2-4,13-17H2,1H3