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

Systemtic Name: 4-tert-butyl-3-[3-[2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-[2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(3-methoxypropoxy)phenyl]-1-oxoheptyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-[2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-[2-methoxy-4-(3-methoxypropoxy)phenyl]heptanoylamino]benzoic acid Formula: C29H41NO6 MolecularWeight: 499.63894

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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=C(C=C(C=C2)OCCCOC)OC

Isomeric SMILES

CCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)OCCCOC)OC

InChI

InChI=1S/C29H41NO6/c1-7-8-10-20(23-13-12-22(19-26(23)35-6)36-16-9-15-34-5)18-27(31)30-25-17-21(28(32)33)11-14-24(25)29(2,3)4/h11-14,17,19-20H,7-10,15-16,18H2,1-6H3,(H,30,31)(H,32,33)