3-(4-chlorophenyl)-7-ethyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-7-ethyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-ethyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-ethyl-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-ethyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-ethyl-4-[4-(2-pyrrolidinoethoxy)benzyl]coumarin Formula: C30H30ClNO3 MolecularWeight: 488.0171

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C30H30ClNO3/c1-2-21-7-14-26-27(29(30(33)35-28(26)20-21)23-8-10-24(31)11-9-23)19-22-5-12-25(13-6-22)34-18-17-32-15-3-4-16-32/h5-14,20H,2-4,15-19H2,1H3