6-[4-azanyl-3-[2-(3-azanylpropoxy)phenyl]carbonyl-5-methyl-2-(methylcarbamoyl)-6-phenyl-phenoxy]hexanoic acid

Systemtic Name: 6-[4-azanyl-3-[2-(3-azanylpropoxy)phenyl]carbonyl-5-methyl-2-(methylcarbamoyl)-6-phenyl-phenoxy]hexanoic acid Openeye Name: 6-[4-amino-3-[2-(3-aminopropoxy)benzoyl]-5-methyl-2-(methylcarbamoyl)-6-phenyl-phenoxy]hexanoic acid CAS Name: 6-[4-amino-3-[[2-(3-aminopropoxy)phenyl]-oxomethyl]-5-methyl-2-(methylcarbamoyl)-6-phenylphenoxy]hexanoic acid IUPAC Name: 6-[4-amino-3-[2-(3-aminopropoxy)benzoyl]-5-methyl-2-(methylcarbamoyl)-6-phenylphenoxy]hexanoic acid Traditional Name: 6-[4-amino-3-[2-(3-aminopropoxy)benzoyl]-5-methyl-2-(methylcarbamoyl)-6-phenyl-phenoxy]hexanoic acid Formula: C31H37N3O6 MolecularWeight: 547.64198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1N)C(=O)C2=CC=CC=C2OCCCN)C(=O)NC)OCCCCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C(=C1N)C(=O)C2=CC=CC=C2OCCCN)C(=O)NC)OCCCCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C31H37N3O6/c1-20-25(21-12-5-3-6-13-21)30(40-18-10-4-7-16-24(35)36)27(31(38)34-2)26(28(20)33)29(37)22-14-8-9-15-23(22)39-19-11-17-32/h3,5-6,8-9,12-15H,4,7,10-11,16-19,32-33H2,1-2H3,(H,34,38)(H,35,36)