[2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenoxy)phenyl]pentyl] benzoate

Systemtic Name: [2-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenoxy)phenyl]pentyl] benzoate Openeye Name: [2-amino-5-[4-(3-benzyloxyphenoxy)-2-chloro-phenyl]pentyl] benzoate CAS Name: benzoic acid [2-amino-5-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]pentyl] ester IUPAC Name: [2-amino-5-[2-chloro-4-(3-phenylmethoxyphenoxy)phenyl]pentyl] benzoate Traditional Name: benzoic acid [2-amino-5-[4-(3-benzoxyphenoxy)-2-chloro-phenyl]pentyl] ester Formula: C31H30ClNO4 MolecularWeight: 516.0272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)OC3=CC(=C(C=C3)CCCC(COC(=O)C4=CC=CC=C4)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)OC3=CC(=C(C=C3)CCCC(COC(=O)C4=CC=CC=C4)N)Cl

InChI

InChI=1S/C31H30ClNO4/c32-30-20-29(37-28-16-8-15-27(19-28)35-21-23-9-3-1-4-10-23)18-17-24(30)13-7-14-26(33)22-36-31(34)25-11-5-2-6-12-25/h1-6,8-12,15-20,26H,7,13-14,21-22,33H2