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

Systemtic Name: 3-(4-chlorophenyl)-7-pentyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-pentyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-pentyl-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-pentyl-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 7-amyl-3-(4-chlorophenyl)-4-[4-(2-pyrrolidinoethoxy)benzyl]coumarin Formula: C33H36ClNO3 MolecularWeight: 530.09684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CCCCCC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C33H36ClNO3/c1-2-3-4-7-24-10-17-29-30(32(33(36)38-31(29)23-24)26-11-13-27(34)14-12-26)22-25-8-15-28(16-9-25)37-21-20-35-18-5-6-19-35/h8-17,23H,2-7,18-22H2,1H3