4-tert-butyl-3-[3-[5-chloranyl-2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-[5-chloranyl-2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[5-chloro-2-methoxy-4-(3-methoxypropoxy)phenyl]-1-oxoheptyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-[5-chloro-2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid Formula: C29H40ClNO6 MolecularWeight: 534.084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C=C2OC)OCCCOC)Cl

Isomeric SMILES

CCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC(=C(C=C2OC)OCCCOC)Cl

InChI

InChI=1S/C29H40ClNO6/c1-7-8-10-19(21-17-23(30)26(18-25(21)36-6)37-14-9-13-35-5)16-27(32)31-24-15-20(28(33)34)11-12-22(24)29(2,3)4/h11-12,15,17-19H,7-10,13-14,16H2,1-6H3,(H,31,32)(H,33,34)